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: | 597 | |
|---|---|---|
| Name: | N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3.5-Triazine-2.4-diamine. 6-chloro-N-ethyl-N-(1-methylethyl)- | |
| Labels: | ||
| CAS: | 1912-24-9 | |
| InChi Code: | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.21 |
experimental value |
| 2.3305 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.59495 |
experimental value |
| 0.0678 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.049174539 |
experimental value |
| -0.4219 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |