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: | 1870 | |
|---|---|---|
| Name: | 3-(4-tert-butylphenoxy)benzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(4-Tert-butylphenoxy)benzaldehyde | |
| Labels: | ||
| CAS: | 69770-23-6 | |
| InChi Code: | InChI=1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.84 |
experimental value |
| 5.492 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022300 | US EPA CompTox Dashboard |