Molecule ID: mol29819

SMILES: O=C/C=C/Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

InChI: InChI=1S/C13H15N5O4/c19-3-1-2-14-12-11-13(16-6-15-12)18(7-17-11)10-4-8(21)9(5-20)22-10/h1-3,6-10,20-21H,4-5H2,(H,14,15,16)/b2-1+/t8-,9+,10+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization