Molecule ID: mol21084

SMILES: COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)CS3)c2)c1

InChI: InChI=1S/C21H19N3OS/c1-25-19-7-3-5-16(13-19)15-4-2-6-18(12-15)21(24-20(22)14-26-21)17-8-10-23-11-9-17/h2-13H,14H2,1H3,(H2,22,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization