Molecule ID: mol32365

SMILES: Cc1c[n+](C2CC(O)C(CO)O2)c(O)nc1NCCc1ccccc1

InChI: InChI=1S/C18H23N3O4/c1-12-10-21(16-9-14(23)15(11-22)25-16)18(24)20-17(12)19-8-7-13-5-3-2-4-6-13/h2-6,10,14-16,22-23H,7-9,11H2,1H3,(H,19,20,24)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.83 OCHEM 1 » 0
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Charge States and Microspecies Visualization