Molecule ID: mol26210

SMILES: C[C@]1(O)NC=Nc2nccnc21

InChI: InChI=1S/C7H8N4O/c1-7(12)5-6(10-4-11-7)9-3-2-8-5/h2-4,12H,1H3,(H,9,10,11)/t7-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization