Molecule ID: mol17200

SMILES: COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC(O)Cn1c([N+](=O)[O-])cnc1C

InChI: InChI=1S/C18H18N4O7/c1-10-19-6-16(22(27)28)21(10)8-11(23)7-20-9-14(18(25)26)17(24)13-5-12(29-2)3-4-15(13)20/h3-6,9,11,23H,7-8H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization