Molecule ID: mol18257

SMILES: C/C(=N\N=C(/S)N/N=C(\S)Nc1cccc(Cl)c1Cl)c1ccccn1

InChI: InChI=1S/C15H14Cl2N6S2/c1-9(11-6-2-3-8-18-11)20-22-15(25)23-21-14(24)19-12-7-4-5-10(16)13(12)17/h2-8H,1H3,(H2,19,21,24)(H2,22,23,25)/b20-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization