ChemSpider 2D Image | S-{5-[4-(Trifluoromethyl)phenyl]-5H-dibenzo[a,d][7]annulen-5-yl}-L-cysteine | C25H20F3NO2S

S-{5-[4-(Trifluoromethyl)phenyl]-5H-dibenzo[a,d][7]annulen-5-yl}-L-cysteine

  • Molecular FormulaC25H20F3NO2S
  • Average mass455.492 Da
  • Monoisotopic mass455.116669 Da
  • ChemSpider ID58924796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, S-[5-[4-(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cyclohepten-5-yl]- [ACD/Index Name]
S-{5-[4-(Trifluormethyl)phenyl]-5H-dibenzo[a,d][7]annulen-5-yl}-L-cystein [German] [ACD/IUPAC Name]
S-{5-[4-(Trifluoromethyl)phenyl]-5H-dibenzo[a,d][7]annulen-5-yl}-L-cysteine [ACD/IUPAC Name]
S-{5-[4-(Trifluorométhyl)phényl]-5H-dibenzo[a,d][7]annulén-5-yl}-L-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.4±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 47.27
ACD/KOC (pH 5.5): 107.32
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 42.90
ACD/KOC (pH 7.4): 97.40
Polar Surface Area: 89 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 325.0±5.0 cm3

Click to predict properties on the Chemicalize site


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