Molecule ID: mol12835

SMILES: Oc1cccc(C2NCCS2)c1

InChI: InChI=1S/C9H11NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h1-3,6,9-11H,4-5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization