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: | 15 | |
|---|---|---|
| Name: | 1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Flusilazole | |
| Labels: | ||
| CAS: | 85509-19-9 | |
| InChi Code: | InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.69 |
experimental value |
| 5.3174 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.97 |
experimental value |
| 5.2738 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.42 |
experimental value |
| 6.0055 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024235 | US EPA CompTox Dashboard |