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: | 1162 | |
|---|---|---|
| Name: | (E)-N-(butan-2-ylidene)hydroxylamine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Butanone. oxime | |
| Labels: | ||
| CAS: | 96-29-7 | |
| InChi Code: | InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4+ |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.329174539 |
experimental value |
| -1.7796 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |