Molecule ID: mol4627

SMILES: Cn1cnc(=S)c2ccccc21

InChI: InChI=1S/C9H8N2S/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization