ID: | N2230 | |
---|---|---|
Name: | propanone, n-hexylisoquinolinium thiocyanate | |
Description: | propanone [HiQu]+[SCN]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C15H20N.C3H6O.CHNS/c1-2-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13-16;1-3(2)4;2-1-3/h5-6,8-10,12-13H,2-4,7,11H2,1H3;1-2H3;3H/q+1;;/p-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
2.350111579717039 |
experimental value |
2.348212888703632 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
2.419330970190703 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |