Molecule ID: mol34975

SMILES: CC=Cc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

InChI: InChI=1S/C13H17N5O3/c1-2-3-7-11-12(17-13(14)16-7)18(6-15-11)10-4-8(20)9(5-19)21-10/h2-3,6,8-10,19-20H,4-5H2,1H3,(H2,14,16,17)/t8-,9+,10+/m0/s1

Experimental Macro pKa Values

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