Molecule ID: mol18051

SMILES: CCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1

InChI: InChI=1S/C13H24N4O5/c1-2-3-4-17-6-7(15-16-17)5-14-8-9(18)11(20)13(22)12(21)10(8)19/h6,8-14,18-22H,2-5H2,1H3/t8-,9-,10+,11+,12-,13-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization