Molecule ID: mol7596

SMILES: Cn1nc(-c2ccccc2)sc1=Nc1ccccc1

InChI: InChI=1S/C15H13N3S/c1-18-15(16-13-10-6-3-7-11-13)19-14(17-18)12-8-4-2-5-9-12/h2-11H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization