Metabolite 10-Hydroxycarbazepine

Name
10-Hydroxycarbazepine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 254.2839
Monoisotopic: 254.105527702
Chemical Formula
C15H14N2O2
InChI Key
BMPDWHIDQYTSHX-UHFFFAOYSA-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)
IUPAC Name
9-hydroxy-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILES
NC(=O)N1C2=CC=CC=C2CC(O)C2=CC=CC=C12
Reactions
    External Links
    Human Metabolome Database
    HMDB0060676
    KEGG Compound
    C07493
    ChemSpider
    102704
    BindingDB
    50330859
    ChEBI
    701
    ChEMBL
    CHEMBL1067
    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
    Polarizability26.31 Å3ChemAxon
    Number of Rings3ChemAxon
    Bioavailability1ChemAxon
    Rule of FiveYesChemAxon
    Ghose FilterYesChemAxon
    Veber's RuleNoChemAxon
    MDDR-like RuleNoChemAxon