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: | 1940 | |
|---|---|---|
| Name: | (3S)-1,3-dichloro-1,1,2,2,3-pentafluoropropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,3-Dichloro-1,1,2,2,3-pentafluoropropane | |
| Labels: | ||
| CAS: | 507-55-1 | |
| InChi Code: | InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H/t1-/m1/s1 |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 0.8069 |
experimental value |
| 1.2882 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.608 |
experimental value |
| 1.6646 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |