Molecule ID: mol18335

SMILES: N=C(N)Nc1ccc(C(=O)c2ccc(NC(=N)N)cc2)cc1

InChI: InChI=1S/C15H16N6O/c16-14(17)20-11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 OCHEM 2 » 1
9.40 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization