Molecule ID: mol11893

SMILES: COc1cc(CN(C)C)c(O)c(CN(C)C)c1

InChI: InChI=1S/C13H22N2O2/c1-14(2)8-10-6-12(17-5)7-11(13(10)16)9-15(3)4/h6-7,16H,8-9H2,1-5H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.33 OCHEM 2 » 1
6.33 QSARToolbox 2 » 1
6.33 IUPAC digitized pKa 2 » 1
6.33 Datawarrior 2 » 1
6.33 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization