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: | 1371 | |
|---|---|---|
| Name: | N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile. 4-ethoxy-7-phenyl-. 4-sulfide | |
| Labels: | ||
| CAS: | 14816-18-3 | |
| InChi Code: | InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+ |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.840825461 |
experimental value |
| -0.0628 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |