Molecule ID: mol21078

SMILES: CC1(c2cccc(-c3cccnc3)c2)N=C(N)c2ccccc2O1

InChI: InChI=1S/C20H17N3O/c1-20(23-19(21)17-9-2-3-10-18(17)24-20)16-8-4-6-14(12-16)15-7-5-11-22-13-15/h2-13H,1H3,(H2,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization