Molecule ID: mol36093

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

InChI: InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.67 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization