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: | 1911 | |
|---|---|---|
| Name: | 1,1,1,2,2,3,3-heptafluoro-3-iodopropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Perfluoropropyl iodide | |
| Labels: | ||
| CAS: | 754-34-7 | |
| InChi Code: | InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 2.865 |
experimental value |
| 2.9138 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1061073 | US EPA CompTox Dashboard |