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: | 1786 | |
|---|---|---|
| Name: | 2-(prop-2-en-1-yl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Allylphenol | |
| Labels: | ||
| CAS: | 1745-81-9 | |
| InChi Code: | InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.95 |
experimental value |
| 4.2331 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022164 | US EPA CompTox Dashboard |