Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.
Compound
| ID: | 415 | |
|---|---|---|
| Name: | 1-(2-Chloroethyl)pyrrolidine hydrochloride | |
| Description: | Note: structure in molfile does not contain hydrochloride atoms | |
| Labels: | ||
| CAS: | 7250-67-1 | |
| InChi Code: | InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 2.941 |
experimental value |
| 2.508 |
Eq9: General validated correlation, logP free (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022248 | US EPA CompTox Dashboard |