Molecule ID: mol37109

SMILES: O=C(CCN(CCC(=O)NO)Cc1ccc(CN(CCC(=O)NO)CCC(=O)NO)cc1)NO

InChI: InChI=1S/C20H32N6O8/c27-17(21-31)5-9-25(10-6-18(28)22-32)13-15-1-2-16(4-3-15)14-26(11-7-19(29)23-33)12-8-20(30)24-34/h1-4,31-34H,5-14H2,(H,21,27)(H,22,28)(H,23,29)(H,24,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.31 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization