ID: | N5282 | |
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Name: | trichloromethane, 1,2,3-tris(diethylamino)cyclopropenylium dicyanamide | |
Description: | trichloromethane [TDC]+[N(CN)2]- | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C15H30N3.C2N3.CHCl3/c1-7-16(8-2)13-14(17(9-3)10-4)15(13)18(11-5)12-6;3-1-5-2-4;2-1(3)4/h7-12H2,1-6H3;;1H/q+1;-1; |
logK: Gas-ionic liquid partition coefficient
Value | Source or prediction |
---|---|
3.538136523224945 |
experimental value |
2.457593294986407 |
MLR: Multiple Linear Regression QSAR model for the gas-ionic liquid partition coefficient of organic solutes (MLR training predictions) |
3.307313049381394 |
RF: Random Forest Regression QSAR model for gas-ionic liquid partition coefficient of organic solutes (RF training predictions) |