Metabolite M-II
- Name
- M-II
- Description
- Not Available
- Structure
Structure for M-II
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 205.188
Monoisotopic: 205.053906665 - Chemical Formula
- C11H8FNO2
- InChI Key
- SWSZTLBZFMBSQC-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H8FNO2/c12-9-4-2-1-3-8(9)10-5-7(6-13-10)11(14)15/h1-6,13H,(H,14,15)
- IUPAC Name
- 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid
- SMILES
- OC(=O)C1=CNC(=C1)C1=CC=CC=C1F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 44253694
- Wikipedia
- MII_(videocassette_format)
- Predicted Properties
Property Value Source Water Solubility 0.795 mg/mL ALOGPS logP 2.72 ALOGPS logP 2.42 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 3.56 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 53.09 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 53.3 m3·mol-1 Chemaxon Polarizability 19.66 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