Molecule ID: mol34030

SMILES: O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

InChI: InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization