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: | 437 | |
|---|---|---|
| Name: | N-nitroso-N-phenylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenamine. N-nitroso-N-phenyl- | |
| Labels: | ||
| CAS: | 86-30-6 | |
| InChi Code: | InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.08 |
experimental value |
| 2.9411 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.0383 |
experimental value |
| -0.4811 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.914174539 |
experimental value |
| -0.2911 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021030 | US EPA CompTox Dashboard |