Metabolite Eslicarbazepine [(S)-licarbazepine]

Name
Eslicarbazepine [(S)-licarbazepine]
HMDB ID
Not Available
Description
Not Available
Structure
Thumb
CAS number
29331-92-8
Weight
Average: 254.2839
Monoisotopic: 254.105527702
Chemical Formula
C15H14N2O2
InChI Key
BMPDWHIDQYTSHX-CQSZACIVSA-N
InChI
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m1/s1
IUPAC Name
(10R)-10-hydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide
SMILES
NC(=O)N1C2=CC=CC=C2C[[email protected]@H](O)C2=C1C=CC=C2
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.554 mg/mLALOGPS
logP1.26ALOGPS
logP1.73ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)14.1ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.56 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity72.29 m3·mol-1ChemAxon
Polarizability26.55 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon