Molecule ID: mol36114

SMILES: O=C(O)CCN(CCCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C9H16N4O8/c14-8(15)2-6-10(12(18)19)4-1-5-11(13(20)21)7-3-9(16)17/h1-7H2,(H,14,15)(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.81 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization