Molecule ID: mol21679

SMILES: O=c1c2cc(O)ccc2nc2n1CCc1c-2n(CCCN2CCCCC2)c2ccccc12

InChI: InChI=1S/C26H28N4O2/c31-18-9-10-22-21(17-18)26(32)30-16-11-20-19-7-2-3-8-23(19)29(24(20)25(30)27-22)15-6-14-28-12-4-1-5-13-28/h2-3,7-10,17,31H,1,4-6,11-16H2

Experimental Macro pKa Values

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