Molecule ID: mol24274

SMILES: COc1cc(CCN)ccc1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.45 AttenGpKa training set 1 » 0
9.54 OCHEM 1 » 0
9.54 OCHEM 1 » 0
10.58 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization