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: | 1897 | |
|---|---|---|
| Name: | 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Perfluoromethoxyperfluoropropionic acid | |
| Labels: | ||
| CAS: | 377-73-1 | |
| InChi Code: | InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13) |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.545 |
experimental value |
| 5.5018 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70191136 | US EPA CompTox Dashboard |