Molecule ID: mol14717

SMILES: COc1cc([S+](C)[O-])ccc1-c1cn2ccncc2n1

InChI: InChI=1S/C14H13N3O2S/c1-19-13-7-10(20(2)18)3-4-11(13)12-9-17-6-5-15-8-14(17)16-12/h3-9H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.88 Datawarrior 1 » 0
2.88 OCHEM 1 » 0
2.88 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization