Molecule ID: mol19026

SMILES: Cc1cccc(C)c1CNc1nccc2c1nc(C)n2C

InChI: InChI=1S/C17H20N4/c1-11-6-5-7-12(2)14(11)10-19-17-16-15(8-9-18-17)21(4)13(3)20-16/h5-9H,10H2,1-4H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization