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: | 1845 | |
|---|---|---|
| Name: | (5-benzylfuran-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Resmethrin | |
| Labels: | ||
| CAS: | 10453-86-8 | |
| InChi Code: | InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m0/s1 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 7.75 |
experimental value |
| 7.0689 |
Tab2.Model_1: P. promelas LC50 (Training set) |