Molecule ID: SM03

SMILES: O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1

InChI: InChI=1S/C14H11N3OS2/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.02 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization