Metabolite 2-hydroxyiminostilbene
- Name
- 2-hydroxyiminostilbene
- Description
- Not Available
- Structure
Structure for 2-hydroxyiminostilbene
- Synonyms
- Not Available
- UNII
- K78KH13GVF
- CAS number
- Not Available
- Weight
- Average: 209.2432
Monoisotopic: 209.084063979 - Chemical Formula
- C14H11NO
- InChI Key
- FKCUOSGTQJAUQX-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H
- IUPAC Name
- 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-6-ol
- SMILES
- OC1=CC=C2NC3=CC=CC=C3C=CC2=C1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0060652
- KEGG Compound
- C16604
- ChemSpider
- 10522208
- ChEBI
- 80599
- ZINC
- ZINC000030731219
- Predicted Properties
Property Value Source Water Solubility 0.122 mg/mL ALOGPS logP 3.48 ALOGPS logP 3.48 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 9.88 Chemaxon pKa (Strongest Basic) 1.77 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 65.92 m3·mol-1 Chemaxon Polarizability 23.08 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon