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: | 1841 | |
|---|---|---|
| Name: | 1-(2-chloroethyl)pyrrolidine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-(2-Chloroethyl)-pyrrolidine | |
| Labels: | ||
| CAS: | 7250-67-1 | |
| InChi Code: | InChI=1S/C6H12ClN/c7-3-6-8-4-1-2-5-8/h1-6H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.94 |
experimental value |
| 2.7675 |
Tab2.Model_1: P. promelas LC50 (Training set) |