Metabolite Norfluoxetine acid
- Name
- Norfluoxetine acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 310.2678
Monoisotopic: 310.081678897 - Chemical Formula
- C16H13F3O3
- InChI Key
- QXMMAJMDXZHOET-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(10-15(20)21)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)
- IUPAC Name
- 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
- SMILES
- OC(=O)CC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
- Reactions
- Fluoxetine Norfluoxetine
- Norfluoxetine Norfluoxetine glucuronide
- Norfluoxetine Norfluoxetine alcohol
- Norfluoxetine alcohol Norfluoxetine acid
- Norfluoxetine 4-Trifluoromethylphenol
- 4-Trifluoromethylphenol Hippuric acid
- Fluoxetine Norfluoxetine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 168.1654 predictedDeepCCS 1.0 (2019) [M+H]+ 170.52342 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.61656 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0125 mg/mL ALOGPS logP 3.93 ALOGPS logP 4.19 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 4.2 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 73.56 m3·mol-1 Chemaxon Polarizability 27.61 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