Molecule ID: mol18446

SMILES: Nc1cc(CO)nc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization