Molecule ID: mol37468

SMILES: O=C(NN=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccncc1

InChI: InChI=1S/C12H17N3O6/c16-6-9(18)11(20)10(19)8(17)5-14-15-12(21)7-1-3-13-4-2-7/h1-5,8-11,16-20H,6H2,(H,15,21)/t8-,9+,10+,11+/m0/s1

Experimental Macro pKa Values

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