Molecule ID: mol7114

SMILES: Cn1cc(-c2ccc(N)cc2)cnc1=O

InChI: InChI=1S/C11H11N3O/c1-14-7-9(6-13-11(14)15)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
3.91 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization