Molecule ID: mol29768

SMILES: Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1

InChI: InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1

Experimental Macro pKa Values

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