Molecule ID: mol1697

SMILES: COc1ccc(Sc2ccc(N)cc2)cc1

InChI: InChI=1S/C13H13NOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,14H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.94 IUPAC digitized pKa 1 » 0
3.94 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization