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: | 1873 | |
|---|---|---|
| Name: | trifluoroacetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Trifluoroacetic Acid | |
| Labels: | ||
| CAS: | 76-05-1 | |
| InChi Code: | InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 3.927 |
experimental value |
| 4.7276 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.057 |
experimental value |
| 3.7952 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| 2.041 |
experimental value |
| 0.9975 |
Tab2.Model_16: PFC vapor pressure (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9041578 | US EPA CompTox Dashboard |