Molecule ID: mol16433

SMILES: O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCOCC3)cc1C2=O

InChI: InChI=1S/C26H28N4O6/c31-23(15-29-5-9-35-10-6-29)27-17-1-3-19-21(13-17)26(34)20-4-2-18(14-22(20)25(19)33)28-24(32)16-30-7-11-36-12-8-30/h1-4,13-14H,5-12,15-16H2,(H,27,31)(H,28,32)

Experimental Macro pKa Values

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