Molecule ID: mol17051

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

InChI: InChI=1S/C11H13ClN2O5/c12-5-10(16)13-9(6-15)11(17)7-1-3-8(4-2-7)14(18)19/h1-4,9,11,15,17H,5-6H2,(H,13,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization