Molecule ID: mol16445

SMILES: CN1CCN(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCN4CCN(C)CC4)cc2C3=O)CC1

InChI: InChI=1S/C30H38N6O4/c1-33-11-15-35(16-12-33)9-7-27(37)31-21-3-5-23-25(19-21)29(39)24-6-4-22(20-26(24)30(23)40)32-28(38)8-10-36-17-13-34(2)14-18-36/h3-6,19-20H,7-18H2,1-2H3,(H,31,37)(H,32,38)

Experimental Macro pKa Values

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