Molecule ID: mol15049

SMILES: COc1cc([S+](C)[O-])ccc1-c1cn2ccnc(OC)c2n1

InChI: InChI=1S/C15H15N3O3S/c1-20-13-8-10(22(3)19)4-5-11(13)12-9-18-7-6-16-15(21-2)14(18)17-12/h4-9H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization