Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1249 | |
|---|---|---|
| Name: | methyl 2-benzoylbenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzoic acid. 2-benzoyl-. methyl ester | |
| Labels: | ||
| CAS: | 606-28-0 | |
| InChi Code: | InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.299174539 |
experimental value |
| -0.5522 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2060549 | US EPA CompTox Dashboard |