Molecule ID: mol18323

SMILES: C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\c1cc2ccc(C3=NCCN3)cc2[nH]1

InChI: InChI=1S/C24H22N6/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-6,11-14,29-30H,7-10H2,(H,25,26)(H,27,28)/b6-5+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.60 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization