ChemSpider 2D Image | (10R,11S)-10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide | C15H14N2O3

(10R,11S)-10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide

  • Molecular FormulaC15H14N2O3
  • Average mass270.283 Da
  • Monoisotopic mass270.100433 Da
  • ChemSpider ID48060909

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,11S)-10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-5-carboxamid [German] [ACD/IUPAC Name]
(10R,11S)-10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide [ACD/IUPAC Name]
(10R,11S)-10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azépine-5-carboxamide [French] [ACD/IUPAC Name]
58955-94-5 [RN]
5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, (10R,11S)- [ACD/Index Name]
rel-(10R,11S)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide
(5S,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4525805/

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 441.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 220.8±31.5 °C
    Index of Refraction: 1.711
    Molar Refractivity: 73.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.13
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.29
    ACD/KOC (pH 5.5): 41.69
    ACD/LogD (pH 7.4): 0.45
    ACD/BCF (pH 7.4): 1.29
    ACD/KOC (pH 7.4): 41.69
    Polar Surface Area: 87 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 77.6±3.0 dyne/cm
    Molar Volume: 187.3±3.0 cm3

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