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: | 554 | |
|---|---|---|
| Name: | naphthalen-1-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-naphthylamine | |
| Labels: | ||
| CAS: | 134-32-7 | |
| InChi Code: | InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.51 |
experimental value |
| 2.7329 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.41537 |
experimental value |
| -1.087 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.244174539 |
experimental value |
| -0.7397 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020920 | US EPA CompTox Dashboard |