Molecule ID: mol19109

SMILES: Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1

InChI: InChI=1S/C17H15ClN4O/c18-13-6-8-14(9-7-13)23-16-10-15(21-17(19)22-16)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,19,20,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization