Molecule ID: mol7874

SMILES: COc1ccc2c(c1)C(O)NC=N2

InChI: InChI=1S/C9H10N2O2/c1-13-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5,9,12H,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.05 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization