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: | 1306 | |
|---|---|---|
| Name: | dimethyl 3-methyl-4-nitrophenyl phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dimethylphosphoric acid 3-Methyl-4-nitrophenyl The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 2255-17-6 | |
| InChi Code: | InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.010825461 |
experimental value |
| -0.5775 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00177084 | US EPA CompTox Dashboard |