Molecule ID: mol21086

SMILES: COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)CS2)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization