Molecule ID: mol4216

SMILES: CSc1nccc(C)n1

InChI: InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.86 IUPAC digitized pKa 1 » 0
1.86 OCHEM 1 » 0
1.95 Datawarrior 1 » 0
1.95 OCHEM 1 » 0
1.95 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization