| ID: | N1586 | |
|---|---|---|
| Name: | cycloheptane, 4-(2-methoxyethyl)-4-methylmorpholinium tris(pentafluoroethyl)trifluorophosphate | |
| Description: | cycloheptane [MeoeMMorp]+[FAP]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H18NO2.C7H14.C6F18P/c1-9(3-6-10-2)4-7-11-8-5-9;1-2-4-6-7-5-3-1;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/h3-8H2,1-2H3;1-7H2;/q+1;;-1 |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 2.022 |
experimental value |
| 2.109909520039019 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
| 1.97785981445912 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |