Molecule ID: mol16442

SMILES: O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O

InChI: InChI=1S/C34H44N4O6/c39-19-13-25-5-1-3-15-37(25)17-11-31(41)35-23-7-9-27-29(21-23)33(43)28-10-8-24(22-30(28)34(27)44)36-32(42)12-18-38-16-4-2-6-26(38)14-20-40/h7-10,21-22,25-26,39-40H,1-6,11-20H2,(H,35,41)(H,36,42)

Experimental Macro pKa Values

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