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: | 1427 | |
|---|---|---|
| Name: | [(2R)-butan-2-yl][(S)-ethoxy(5-methyl-2-nitrophenoxy)sulfanylidene-λ⁵-phosphanyl]amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butamifos The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 36335-67-8 | |
| InChi Code: | InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)/t11-,20+/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.199174539 |
experimental value |
| -0.1033 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |