Molecule ID: mol25472

SMILES: COc1cccc(-n2cc(N)cn2)c1

InChI: InChI=1S/C10H11N3O/c1-14-10-4-2-3-9(5-10)13-7-8(11)6-12-13/h2-7H,11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization