Molecule ID: mol8680

SMILES: CCC(C)O

InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
17.60 IUPAC digitized pKa 0 » -1
17.60 OCHEM 0 » -1
17.60 AttenGpKa training set 0 » -1
17.60 QSARToolbox 0 » -1
17.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization