Molecule ID: mol36150

SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)Nc1ccccn1)CC(=O)Nc1ccccn1

InChI: InChI=1S/C20H24N6O6/c27-17(23-15-5-1-3-7-21-15)11-25(13-19(29)30)9-10-26(14-20(31)32)12-18(28)24-16-6-2-4-8-22-16/h1-8H,9-14H2,(H,29,30)(H,31,32)(H,21,23,27)(H,22,24,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization