Molecule ID: mol7502

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

InChI: InChI=1S/C12H13N3/c1-9-3-5-10(6-4-9)11-7-14-12(13-2)15-8-11/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
3.59 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization