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: | 484 | |
|---|---|---|
| Name: | 1,2-dichloroethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2-Dichloroethane | |
| Labels: | ||
| CAS: | 107-06-2 | |
| InChi Code: | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.86 |
experimental value |
| 2.7783 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.8184 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 2.20366 |
experimental value |
| 1.0216 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020438 | US EPA CompTox Dashboard |