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: | 1862 | |
|---|---|---|
| Name: | 1-(chloromethyl)-4-ethenylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloromethyl styrene | |
| Labels: | ||
| CAS: | 30030-25-2 | |
| InChi Code: | InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.69 |
experimental value |
| 4.6998 |
Tab2.Model_1: P. promelas LC50 (Training set) |