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: | 1849 | |
|---|---|---|
| Name: | 3-(4-bromobenzoyl)pyridine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Bromophenyl 3-pyridyl ketone | |
| Labels: | ||
| CAS: | 14548-45-9 | |
| InChi Code: | InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.11 |
experimental value |
| 4.6655 |
Tab2.Model_1: P. promelas LC50 (Training set) |