Molecule ID: mol21231

SMILES: Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1

InChI: InChI=1S/C19H19N7/c1-11-8-12(2)16(13(3)9-11)23-19-25-17(21)24-18(26-19)22-15-6-4-14(10-20)5-7-15/h4-9H,1-3H3,(H4,21,22,23,24,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization