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: | 1960 | |
|---|---|---|
| Name: | 2,2,3,3,4,4,5,5-octafluoropentanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: octafluoropentanoic acid | |
| Labels: | ||
| CAS: | 376-72-7 | |
| InChi Code: | InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 2.146 |
experimental value |
| 2.7394 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50191038 | US EPA CompTox Dashboard |