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: | 1410 | |
|---|---|---|
| Name: | (2S)-2-[(2,3-dibromo-6-methylphenoxy)methyl]oxirane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxirane. [(dibromomethylphenoxy)methyl]- | |
| Labels: | ||
| CAS: | 30171-80-3 | |
| InChi Code: | InChI=1S/C10H10Br2O2/c1-6-2-3-8(11)9(12)10(6)14-5-7-4-13-7/h2-3,7H,4-5H2,1H3/t7-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.209174539 |
experimental value |
| 0.4572 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |