Molecule ID: mol6714

SMILES: COc1ccc(C2=NCCN2)cc1

InChI: InChI=1S/C10H12N2O/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization