Molecules solubility predictor Alfa

(V 0.20)

Please input the smiles string for the materials you want to predict and the smiles string of the solvent. Find out SMILES string if you only know the formula of your composition!
About

water: O methanol: CO ethanol: CCO n-propanol: CCCO n-butanol: CCCCO acetone: CC(C)=O ethyl acetate: CCOC(C)=O dichloromethane: ClCCl acetonitrile: CC#N isopropanol: CC(C)O n-octanol: CCCCCCCCO cyclohexanone: O=C1CCCCC1 1,2-dichlorobenzene: Clc1ccccc1Cl toluene: Cc1ccccc1 isobutanol: CC(C)CO n-pentanol: CCCCCO 1,2,4-trichlorobenzene: Clc1ccc(Cl)c(Cl)c1 THF: C1CCOC1 2-butanone: CCC(C)=O sec-butanol: CCC(C)O 1,4-dioxane: C1COCCO1 n-propyl acetate: CCCOC(C)=O DMF: CN(C)C=O NMP: CN1CCCC1=O ethylene glycol: OCCO cyclohexane: C1CCCCC1
Feed back