Metabolite 6-Hydroxynorketamine

Name
6-Hydroxynorketamine
Description
Not Available
Structure
Synonyms
Not Available
UNII
6VAD9SC8NW
CAS number
Not Available
Weight
Average: 239.698
Monoisotopic: 239.071306404
Chemical Formula
C12H14ClNO2
InChI Key
CFBVGSWSOJBYGC-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2
IUPAC Name
2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one
SMILES
NC1(CCCC(O)C1=O)C1=CC=CC=C1Cl
Reactions
ChemSpider
117907
ChEMBL
CHEMBL3544557
Wikipedia
Hydroxynorketamine
Predicted Properties
PropertyValueSource
Water Solubility0.986 mg/mLALOGPS
logP1.11ALOGPS
logP2.04ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)13.34ChemAxon
pKa (Strongest Basic)6.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity62.27 m3·mol-1ChemAxon
Polarizability23.94 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon