Molecule ID: mol7116

SMILES: COc1ncc(-c2ccc(N)cc2)cn1

InChI: InChI=1S/C11H11N3O/c1-15-11-13-6-9(7-14-11)8-2-4-10(12)5-3-8/h2-7H,12H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization