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: | 162 | |
|---|---|---|
| Name: | 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyprodinil | |
| Labels: | ||
| CAS: | 121552-61-2 | |
| InChi Code: | InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.94 |
experimental value |
| 5.1428 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.97 |
experimental value |
| 4.398 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1032359 | US EPA CompTox Dashboard |