Metabolite 5-Hydroxynorketamine

Name
5-Hydroxynorketamine
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 239.698
Monoisotopic: 239.071306404
Chemical Formula
C12H14ClNO2
InChI Key
JNIMTHZVAYLUSL-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)12(14)6-5-8(15)7-11(12)16/h1-4,8,15H,5-7,14H2
IUPAC Name
2-amino-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
SMILES
NC1(CCC(O)CC1=O)C1=CC=CC=C1Cl
Reactions
ChemSpider
58994895
ChEMBL
CHEMBL3544559
Predicted Properties
PropertyValueSource
Water Solubility1.26 mg/mLALOGPS
logP0.73ALOGPS
logP1.68ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)15.08ChemAxon
pKa (Strongest Basic)6.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity62.29 m3·mol-1ChemAxon
Polarizability23.98 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon