Molecule ID: mol13078

SMILES: C[S+]([O-])Cc1ccccn1

InChI: InChI=1S/C7H9NOS/c1-10(9)6-7-4-2-3-5-8-7/h2-5H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization