ID: | N131 | |
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Name: | 2,2-dimethylbutane, 4-methyl-n-butylpyridinium dicyanamide | |
Description: | 2,2-dimethylbutane [4-MBPy]+[N(CN)2]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C10H16N.C6H14.C2N3/c1-3-4-7-11-8-5-10(2)6-9-11;1-5-6(2,3)4;3-1-5-2-4/h5-6,8-9H,3-4,7H2,1-2H3;5H2,1-4H3;/q+1;;-1 |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
0.6542269163803355 |
experimental value |
1.131475731992098 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR holdout predictions) |
0.8470596482453696 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF holdout predictions) |