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: | 330 | |
|---|---|---|
| Name: | cis-3-Hexen-1-ol | |
| Description: | Molfile structure replaced by the cis isomer (was trans). Descriptor values were calculated using the trans isomer. | |
| Labels: | ||
| CAS: | 928-96-1 | |
| InChi Code: | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 2.42 |
experimental value |
| 3.147 |
Eq9: General validated correlation, logP free (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022137 | US EPA CompTox Dashboard |