ID: | N5856 | |
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Name: | pyridine, 4-(2-methoxyethyl)-4-methylmorpholinium tris(pentafluoroethyl)trifluorophosphate | |
Description: | pyridine [MeoeMMorp]+[FAP]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C8H18NO2.C6F18P.C5H5N/c1-9(3-6-10-2)4-7-11-8-5-9;7-1(8,9)4(16,17)25(22,23,24,5(18,19)2(10,11)12)6(20,21)3(13,14)15;1-2-4-6-5-3-1/h3-8H2,1-2H3;;1-5H/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.853655242576208 |
experimental value |
3.915305164307633 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
3.978588648064335 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |