Molecule ID: mol18252

SMILES: C/C(=N\N=C(/S)N/N=C(\S)Nc1cccc(I)c1)c1ccccn1

InChI: InChI=1S/C15H15IN6S2/c1-10(13-7-2-3-8-17-13)19-21-15(24)22-20-14(23)18-12-6-4-5-11(16)9-12/h2-9H,1H3,(H2,18,20,23)(H2,21,22,24)/b19-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization