Molecule ID: mol36953

SMILES: O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI: InChI=1S/C9H13N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12-15H,3H2,(H,10,16)/t4-,6-,7-,8-/m1/s1

Experimental Macro pKa Values

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