Molecule ID: mol17052

SMILES: O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)c1ccco1

InChI: InChI=1S/C14H14N2O6/c17-8-11(15-14(19)12-2-1-7-22-12)13(18)9-3-5-10(6-4-9)16(20)21/h1-7,11,13,17-18H,8H2,(H,15,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization