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: | 1821 | |
|---|---|---|
| Name: | 4-[2-(pyridin-4-yl)ethyl]pyridine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2-Bis(4-pyridyl)ethane | |
| Labels: | ||
| CAS: | 4916-57-8 | |
| InChi Code: | InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.09 |
experimental value |
| 4.0629 |
Tab2.Model_1: P. promelas LC50 (Training set) |