Molecule ID: mol19865

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC

InChI: InChI=1S/C23H29N3O4/c1-26-13-12-25-23(26)18-5-7-20(8-6-18)30-16-19(27)15-24-11-10-17-4-9-21(28-2)22(14-17)29-3/h4-9,12-14,19,24,27H,10-11,15-16H2,1-3H3

Experimental Macro pKa Values

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