Compound
| ID: | N411 | |
|---|---|---|
| Name: | cyclopentane, 1-butyl-1-methylmorpholinium tricyanomethanide | |
| Description: | cyclopentane [BMMorp]+[C(CN)3]- | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H20NO.C5H10.C4N3/c1-3-4-5-10(2)6-8-11-9-7-10;1-2-4-5-3-1;5-1-4(2-6)3-7/h3-9H2,1-2H3;1-5H2;/q+1;;-1 |
Properties
logK: Gas-ionic liquid partition coefficient
| Value | Source or prediction |
|---|---|
| 1.191457278870977 |
experimental value |
| 1.848852452160466 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
| 1.339500856697391 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |