ChemSpider 2D Image | 1H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazepine-5,7(3H,6H)-dione | C5H4N4O3

1H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazepine-5,7(3H,6H)-dione

  • Molecular FormulaC5H4N4O3
  • Average mass168.110 Da
  • Monoisotopic mass168.028336 Da
  • ChemSpider ID23369284

More details:

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

1H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazepin-5,7(3H,6H)-dion [German] [ACD/IUPAC Name]
1H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazepine-5,7(3H,6H)-dione [ACD/IUPAC Name]
1H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazépine-5,7(3H,6H)-dione [French] [ACD/IUPAC Name]
4H-[1,2,5]Oxadiazolo[3,4-b][1,4]diazepine-5,7(6H,8H)-dione [ACD/Index Name]
1158430-36-4 [RN]
MFCD15201914

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 33.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.54
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 108.3±3.0 cm3

Click to predict properties on the Chemicalize site


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