Molecule ID: mol21068

SMILES: COc1cccc(-c2cccc(C3(C)CSCC(N)=N3)c2)c1

InChI: InChI=1S/C18H20N2OS/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization