Molecule ID: mol12663

SMILES: COc1ccc(C(O)CN)cc1

InChI: InChI=1S/C9H13NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.02 Datawarrior 1 » 0
9.02 QSARToolbox 1 » 0
9.02 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization