ID: | N6439 | |
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Name: | 2-nitrophenol, n-propyl-n-methylpiperidinium bis(trifluoromethylsulfonyl)imide | |
Description: | 2-nitrophenol [PMPip]+[(Tf)2N]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C9H20N.C6H5NO3.C2F6NO4S2/c1-3-7-10(2)8-5-4-6-9-10;8-6-4-2-1-3-5(6)7(9)10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;1-4,8H;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
5.355600099853957 |
experimental value |
7.729265700255567 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
5.318348503453329 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |