Molecule ID: mol7238

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

InChI: InChI=1S/C11H10ClN3/c1-13-11-14-6-9(7-15-11)8-2-4-10(12)5-3-8/h2-7H,1H3,(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization