Molecule ID: mol20120

SMILES: CCC(CC)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O

InChI: InChI=1S/C15H23N5O4/c1-3-8(4-2)19-13-10-14(17-6-16-13)20(7-18-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,19)/t9-,11-,12-,15?/m1/s1

Experimental Macro pKa Values

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