Molecule ID: mol21085

SMILES: COc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1

InChI: InChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization