Molecule ID: mol20574

SMILES: COc1cccc(C(=O)NCCN2CCN(c3noc4ccccc34)CC2)c1

InChI: InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)

Experimental Macro pKa Values

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