Molecule ID: mol20415

SMILES: O=C(NCc1ccccn1)C1=CCCC1C(=O)N1CCCC1

InChI: InChI=1S/C17H21N3O2/c21-16(19-12-13-6-1-2-9-18-13)14-7-5-8-15(14)17(22)20-10-3-4-11-20/h1-2,6-7,9,15H,3-5,8,10-12H2,(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