Molecule ID: mol36925

SMILES: O=S1(=O)N=CNc2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c21

InChI: InChI=1S/C9H12N4O6S/c14-1-4-5(15)6(16)8(19-4)13-3-11-7-9(13)20(17,18)12-2-10-7/h2-6,8,14-16H,1H2,(H,10,12)/t4-,5-,6-,8+/m0/s1

Experimental Macro pKa Values

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