Molecule ID: mol1716

SMILES: Nc1ccccc1Sc1ccccc1

InChI: InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization