Molecule ID: mol26212

SMILES: Oc1ncc2c(n1)N[C@H](O)C=C2

InChI: InChI=1S/C7H7N3O2/c11-5-2-1-4-3-8-7(12)10-6(4)9-5/h1-3,5,11H,(H2,8,9,10,12)/t5-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization