Metabolite 5-Hydroxyketamine

Name
5-Hydroxyketamine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 253.725
Monoisotopic: 253.086956468
Chemical Formula
C13H16ClNO2
InChI Key
GJRAGJDIUMHOLU-UHFFFAOYSA-N
InChI
InChI=1S/C13H16ClNO2/c1-15-13(7-6-9(16)8-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
IUPAC Name
2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)cyclohexan-1-one
SMILES
CNC1(CCC(O)CC1=O)C1=CC=CC=C1Cl
Reactions
External Links
Human Metabolome Database
HMDB0014016
ChemSpider
35032781
ChEMBL
CHEMBL3544562
Predicted Properties
PropertyValueSource
Water Solubility0.857 mg/mLALOGPS
logP1.31ALOGPS
logP2.12ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)15.08ChemAxon
pKa (Strongest Basic)6.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity67.07 m3·mol-1ChemAxon
Polarizability25.82 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon