Molecule ID: mol20040

SMILES: Nc1cccc(Cn2c(-c3ccc(Nc4cncnc4)cc3)ccc2-c2ccccc2Cl)n1

InChI: InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.86 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization