Molecule ID: mol25469

SMILES: COc1cccc(-n2nccc2N)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization