Molecule ID: mol17059

SMILES: O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C1CCC1

InChI: InChI=1S/C14H18N2O5/c17-8-12(15-14(19)10-2-1-3-10)13(18)9-4-6-11(7-5-9)16(20)21/h4-7,10,12-13,17-18H,1-3,8H2,(H,15,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization