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: | 1782 | |
|---|---|---|
| Name: | 3-phenoxyaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Benzyloxyaniline | |
| Labels: | ||
| CAS: | 1484-26-0 | |
| InChi Code: | InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.31 |
experimental value |
| 4.3961 |
Tab2.Model_1: P. promelas LC50 (Training set) |