Molecule ID: mol20420

SMILES: O=C(NCc1cccnc1)C1=CCCC1C(=O)N1CCCC1

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