Molecule ID: mol17048

SMILES: O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C1CC1

InChI: InChI=1S/C13H16N2O5/c16-7-11(14-13(18)9-1-2-9)12(17)8-3-5-10(6-4-8)15(19)20/h3-6,9,11-12,16-17H,1-2,7H2,(H,14,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization