Molecule ID: mol18047

SMILES: CCCCCCCCn1cc(CCN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1

InChI: InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-10-22-11-12(20-21-22)8-9-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization