Molecule ID: mol18048

SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](NCc2cn(CCc3ccccc3)nn2)[C@H](O)[C@H]1O

InChI: InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-

Experimental Macro pKa Values

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