Molecule ID: mol16238

SMILES: Cn1nnc(-c2onc(O)c2CC(N)C(=O)O)n1

InChI: InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization