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: | 658 | |
|---|---|---|
| Name: | 1-({[bis(butylsulfanyl)phosphoryl]methyl}sulfanyl)propane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tribuphos | |
| Labels: | ||
| CAS: | 78-48-8 | |
| InChi Code: | InChI=1S/C12H27OPS3/c1-4-7-10-16-14(13,12-15-9-6-3)17-11-8-5-2/h4-12H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.7 |
experimental value |
| 3.1548 |
Tab2.Model_2: logKoc (Training set) |