Molecule ID: mol20239

SMILES: CN(C)CCNC(=O)c1cccc2c1ncc1ccccc12

InChI: InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)16-9-5-8-15-14-7-4-3-6-13(14)12-20-17(15)16/h3-9,12H,10-11H2,1-2H3,(H,19,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.95 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization