Molecule ID: mol7496

SMILES: CNc1ncc(-c2ccc(OC)cc2)cn1

InChI: InChI=1S/C12H13N3O/c1-13-12-14-7-10(8-15-12)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3,(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization