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: | 1865 | |
|---|---|---|
| Name: | 4-(hexyloxy)aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Hexyloxyaniline | |
| Labels: | ||
| CAS: | 39905-57-2 | |
| InChi Code: | InChI=1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.81 |
experimental value |
| 5.0827 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022288 | US EPA CompTox Dashboard |