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: | 1746 | |
|---|---|---|
| Name: | 2,3,4,5,6-pentafluorobenzaldehyde | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentafluorobenzaldehyde | |
| Labels: | ||
| CAS: | 653-37-2 | |
| InChi Code: | InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.25 |
experimental value |
| 4.6777 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022101 | US EPA CompTox Dashboard |