Molecule ID: mol18468

SMILES: ON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3O)cc2)cc1

InChI: InChI=1S/C20H24N6O2/c27-25-13-11-21-19(25)23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-20-22-12-14-26(20)28/h3-10,27-28H,1-2,11-14H2,(H,21,23)(H,22,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.97 Baltruschat ChEMBL 0 » -1
7.97 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization