Molecule ID: mol3029

SMILES: O=c1cc(CSc2cccc(F)c2F)nc2cc[nH]n12

InChI: InChI=1S/C13H9F2N3OS/c14-9-2-1-3-10(13(9)15)20-7-8-6-12(19)18-11(17-8)4-5-16-18/h1-6,16H,7H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.35 Novartis 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization