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: | 1787 | |
|---|---|---|
| Name: | 1-tert-butyl-4-ethenylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Tert-butylstyrene | |
| Labels: | ||
| CAS: | 1746-23-2 | |
| InChi Code: | InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.52 |
experimental value |
| 4.778 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022305 | US EPA CompTox Dashboard |