Metabolite 5-Hydroxyketamine
- Name
- 5-Hydroxyketamine
- Description
- Not Available
- Structure
Structure for 5-Hydroxyketamine
- 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
Property Value Source Water Solubility 0.857 mg/mL ALOGPS logP 1.31 ALOGPS logP 2.12 ChemAxon logS -2.5 ALOGPS pKa (Strongest Acidic) 15.08 ChemAxon pKa (Strongest Basic) 6.86 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 49.33 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 67.07 m3·mol-1 ChemAxon Polarizability 25.82 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon