Molecule ID: mol18445

SMILES: Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2

InChI: InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization