Metabolite Moclobemide M5
- Name
- Moclobemide M5
- Description
- Not Available
- Structure
Structure for Moclobemide M5
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 284.74
Monoisotopic: 284.0927701 - Chemical Formula
- C13H17ClN2O3
- InChI Key
- CJTZZADPEGGIMM-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H17ClN2O3/c14-12-3-1-11(2-4-12)13(17)15-5-6-16(18)7-9-19-10-8-16/h1-4H,5-10H2,(H,15,17)
- IUPAC Name
- 4-chloro-N-[2-(4-oxo-4lambda5-morpholin-4-yl)ethyl]benzamide
- SMILES
- ClC1=CC=C(C=C1)C(=O)NCCN1(=O)CCOCC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 160.6367 predictedDeepCCS 1.0 (2019) [M+H]+ 163.03226 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.0754 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 143126
- Predicted Properties
Property Value Source Water Solubility 0.0889 mg/mL ALOGPS logP 0.38 ALOGPS logP 0.33 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 14.73 Chemaxon pKa (Strongest Basic) 0.95 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 65.21 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 73.98 m3·mol-1 Chemaxon Polarizability 28.81 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