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ChemSpider 2D Image | Ridinilazole | C24H16N6


  • Molecular FormulaC24H16N6
  • Average mass388.424 Da
  • Monoisotopic mass388.143646 Da
  • ChemSpider ID17592423

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2'-Di(4-pyridinyl)-3H,3'H-5,5'-bibenzimidazol [German] [ACD/IUPAC Name]
2,2'-Di(4-pyridinyl)-3H,3'H-5,5'-bibenzimidazole [ACD/IUPAC Name]
2,2'-Di(4-pyridinyl)-3H,3'H-5,5'-bibenzimidazole [French] [ACD/IUPAC Name]
308362-25-6 [RN]
6,6'-Bi-1H-benzimidazole, 2,2'-di-4-pyridinyl- [ACD/Index Name]
ridinilazol [Spanish] [INN]
ridinilazole [French] [INN]
Ridinilazole [INN]
ridinilazolum [Latin] [INN]
ридинилазол [Russian] [INN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

06DX01190R [DBID]
10075 [DBID]
UNII-06DX01190R [DBID]
UNII:06DX01190R [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 774.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 112.8±3.0 kJ/mol
    Flash Point: 352.4±28.6 °C
    Index of Refraction: 1.764
    Molar Refractivity: 116.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 97.39
    ACD/KOC (pH 5.5): 878.28
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 115.50
    ACD/KOC (pH 7.4): 1041.60
    Polar Surface Area: 83 Å2
    Polarizability: 46.4±0.5 10-24cm3
    Surface Tension: 74.2±3.0 dyne/cm
    Molar Volume: 283.1±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  3.39
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  707.34  (Adapted Stein & Brown method)
        Melting Pt (deg C):  309.45  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  6.86E-017  (Modified Grain method)
        Subcooled liquid VP: 1.06E-013 mm Hg (25 deg C, Mod-Grain method)
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  0.356
           log Kow used: 3.39 (estimated)
           no-melting pt equation used
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.58671 mg/L
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.93E-020  atm-m3/mole
       Group Method:   8.10E-024  atm-m3/mole
     Henrys LC [VP/WSol estimate using EPI values]:  9.849E-017 atm-m3/mole
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  3.39  (KowWin est)
      Log Kaw used:  -18.103  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  21.493
          Log Koa (experimental database):  None
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.2535
       Biowin2 (Non-Linear Model)     :   0.0031
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   1.9124  (months      )
       Biowin4 (Primary Survey Model) :   3.2498  (weeks       )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.3954
       Biowin6 (MITI Non-Linear Model):   0.0004
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.7822
     Ready Biodegradability Prediction:   NO
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  1.41E-011 Pa (1.06E-013 mm Hg)
      Log Koa (Koawin est  ): 21.493
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  2.12E+005 
           Octanol/air (Koa) model:  7.64E+008 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  90.6434 E-12 cm3/molecule-sec
          Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.416 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  3.798E+006
          Log Koc:  6.580 
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
        Rate constants can NOT be estimated for this structure!
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 1.911 (BCF = 81.51)
           log Kow used: 3.39 (estimated)
     Volatilization from Water:
        Henry LC:  1.93E-020 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 5.979E+016  hours   (2.491E+015 days)
        Half-Life from Model Lake : 6.522E+017  hours   (2.718E+016 days)
     Removal In Wastewater Treatment:
        Total removal:              10.76  percent
        Total biodegradation:        0.17  percent
        Total sludge adsorption:    10.60  percent
        Total to Air:                0.00  percent
          (using 10000 hr Bio P,A,S)
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       1.89e-006       2.83         1000       
       Water     9.42            1.44e+003    1000       
       Soil      90              2.88e+003    1000       
       Sediment  0.614           1.3e+004     0          
         Persistence Time: 2.81e+003 hr

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