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: | 382 | |
|---|---|---|
| Name: | cyclohexyl prop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexyl acrylate | |
| Labels: | ||
| CAS: | 3066-71-5 | |
| InChi Code: | InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.02 |
experimental value |
| 3.9315 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.02 |
experimental value |
| 2.2655 |
Tab2.Model_6: Esters P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022204 | US EPA CompTox Dashboard |