Molecule ID: mol19900

SMILES: O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1

InChI: InChI=1S/C21H25N5O3/c27-18(14-22-10-11-25-21(28)26-17-4-2-1-3-5-17)15-29-19-8-6-16(7-9-19)20-23-12-13-24-20/h1-9,12-13,18,22,27H,10-11,14-15H2,(H,23,24)(H2,25,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization