Molecule ID: mol20306

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)NO)s1

InChI: InChI=1S/C21H24N6O3S/c1-14-11-25-20(23-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)24-12-16-7-8-17(31-16)19(22)26-30/h2-8,11,30H,9-10,12-13H2,1H3,(H2,22,26)(H,23,25)(H,24,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization