Molecule ID: mol17531

SMILES: COc1ccccc1N1CCN(CCCNC(=O)c2ccc3nonc3c2)CC1

InChI: InChI=1S/C21H25N5O3/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-22-21(27)16-7-8-17-18(15-16)24-29-23-17/h2-3,5-8,15H,4,9-14H2,1H3,(H,22,27)

Experimental Macro pKa Values

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