This record is deprecated and may be removed soon.
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Add:
Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 10235438
Empirical Formula: C15H12N2O2
Molecular Weight: 252.268
Nominal Mass: 252 Da
Average Mass: 252.268 Da
Monoisotopic Mass: 252.089878 Da
Systematic Name: 5,5-diphenylimidazolidine-2,4-dione
SMILES: O=C2NC(=O)NC2(c1ccccc1)c3ccccc3
InChI:
InChIKey: -
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
Data SourceExternal ID(s)
Antony_WilliamsN/A
ChemDiv1487-1267
DrugBankAPRD00241
Life ChemicalsF0081-0306
Ryan ScientificBAS 00281572, BTB 14870, LT00159593, T0503-5464, F0081-0306
Single Depositionsdilantin, Fenitoina, phenytoin
Synthon-LabSL022641
UkrOrgSynthesisPB-90147607
(Details...) Predicted Properties
LogP: ACD/LogP: 2.52
ALOGPS: 2.26 		# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.52 ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 5.5): 48.72 ACD/BCF (pH 7.4): 45.06
ACD/KOC (pH 5.5): 561.75 ACD/KOC (pH 7.4): 519.53
#H bond acceptors: 4 #H bond donors: 2
#Freely Rotating Bonds: 2 Polar Surface Area: 58.2 Å2
Index of Refraction: 1.61 Molar Refractivity: 69.58 cm3
Molar Volume: 200.5 cm3 Polarizability: 27.58 10-24cm3
Surface Tension: 49.2 dyne/cm Density: 1.257 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C