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: | 378 | |
|---|---|---|
| Name: | methyl 4-chlorobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl p-chlorobenzoate | |
| Labels: | ||
| CAS: | 1126-46-1 | |
| InChi Code: | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.19 |
experimental value |
| 3.9753 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.19 |
experimental value |
| 0.9655 |
Tab2.Model_6: Esters P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022148 | US EPA CompTox Dashboard |