Molecule ID: mol20632

SMILES: COc1ccnc(C[S+]([O-])c2nc3cscc3[nH]2)c1Br

InChI: InChI=1S/C12H10BrN3O2S2/c1-18-10-2-3-14-9(11(10)13)6-20(17)12-15-7-4-19-5-8(7)16-12/h2-5H,6H2,1H3,(H,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.52 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization