Metabolite Norketamine

Name
Norketamine
Description
Not Available
Structure
Synonyms
2-Amino-2-(o-chlorophenyl)cyclohexanone
UNII
XQY6JVF94X
CAS number
35211-10-0
Weight
Average: 223.699
Monoisotopic: 223.076391782
Chemical Formula
C12H14ClNO
InChI Key
BEQZHFIKTBVCAU-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2
IUPAC Name
2-amino-2-(2-chlorophenyl)cyclohexan-1-one
SMILES
NC1(CCCCC1=O)C1=C(Cl)C=CC=C1
Reactions
Human Metabolome Database
HMDB0060549
ChemSpider
110322
ChEBI
91519
ChEMBL
CHEMBL1039
Wikipedia
Norketamine
Predicted Properties
PropertyValueSource
Water Solubility0.178 mg/mLALOGPS
logP2.22ALOGPS
logP2.91ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)19.71ChemAxon
pKa (Strongest Basic)7.27ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.09 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity60.78 m3·mol-1ChemAxon
Polarizability22.75 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon