Molecule ID: mol3431

SMILES: COc1ccc(CC(C)N)cc1OC

InChI: InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization