Metabolite 6-Hydroxyketamine

Name
6-Hydroxyketamine
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
81395-75-7
Weight
Average: 253.725
Monoisotopic: 253.086956468
Chemical Formula
C13H16ClNO2
InChI Key
WAXHSFGMMWDOAE-UHFFFAOYSA-N
InChI
InChI=1S/C13H16ClNO2/c1-15-13(8-4-7-11(16)12(13)17)9-5-2-3-6-10(9)14/h2-3,5-6,11,15-16H,4,7-8H2,1H3
IUPAC Name
2-(2-chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexan-1-one
SMILES
[H]N(C)C1(CCCC(O)C1=O)C1=CC=CC=C1Cl
Reactions
Human Metabolome Database
HMDB0060550
ChemSpider
117908
ChEMBL
CHEMBL3544560
Predicted Properties
PropertyValueSource
Water Solubility1.32 mg/mLALOGPS
logP1.46ALOGPS
logP2.48ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)13.34ChemAxon
pKa (Strongest Basic)6.74ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity67.05 m3·mol-1ChemAxon
Polarizability25.79 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon