Molecule ID: mol20419

SMILES: O=C(NCc1ccncc1)C1=CCCC1C(=O)N1CCCC1

InChI: InChI=1S/C17H21N3O2/c21-16(19-12-13-6-8-18-9-7-13)14-4-3-5-15(14)17(22)20-10-1-2-11-20/h4,6-9,15H,1-3,5,10-12H2,(H,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization