ID: | N3960 | |
---|---|---|
Name: | thiophene, n-hexylisoquinolinium thiocyanate | |
Description: | thiophene [HiQu]+[SCN]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C15H20N.C4H4S.CHNS/c1-2-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13-16;1-2-4-5-3-1;2-1-3/h5-6,8-10,12-13H,2-4,7,11H2,1H3;1-4H;3H/q+1;;/p-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.023270049182995 |
experimental value |
2.690116681726121 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.019424049375155 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |