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: | 321 | |
|---|---|---|
| Name: | trans-1,2-Dichlorocyclohexane | |
| Description: | Molfile structure replaced by the trans (R,R) isomer (was cis). Descriptor values were calculated using the cis isomer. | |
| Labels: | ||
| CAS: | 822-86-6 | |
| InChi Code: | InChI=1S/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/m1/s1 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 3.92 |
experimental value |
| 3.185 |
Eq9: General validated correlation, logP free (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022126 | US EPA CompTox Dashboard |