Molecule ID: mol16400

SMILES: CC1=NN(c2ccc(OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1

InChI: InChI=1S/C16H20N4O8/c1-12-10-16(21)18(17-12)13-5-7-14(8-6-13)26-9-3-2-4-15(28-20(24)25)11-27-19(22)23/h5-8,15H,2-4,9-11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization