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: | 1811 | |
|---|---|---|
| Name: | 2-(4-chlorobenzoyl)aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Amino-4'-chlorobenzophenone | |
| Labels: | ||
| CAS: | 2894-51-1 | |
| InChi Code: | InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.04 |
experimental value |
| 4.8946 |
Tab2.Model_1: P. promelas LC50 (Training set) |