Molecule ID: mol26464

SMILES: COc1ccc(OC)c2[nH]cnc12

InChI: InChI=1S/C9H10N2O2/c1-12-6-3-4-7(13-2)9-8(6)10-5-11-9/h3-5H,1-2H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.50 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization