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: | 1033 | |
|---|---|---|
| Name: | N-[(1R)-2,2,2-trichloro-1-{4-[(1R)-2,2,2-trichloro-1-formamidoethyl]piperazin-1-yl}ethyl]formamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triforine | |
| Labels: | ||
| CAS: | 26644-46-2 | |
| InChi Code: | InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)/t7-,8-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.8 |
experimental value |
| 2.8011 |
Tab2.Model_2: logKoc (Training set) |