Molecule ID: mol17391

SMILES: O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccncc3)cccc21

InChI: InChI=1S/C23H23N5O3/c29-22-15-21(27-10-12-31-13-11-27)25-20(26-22)14-23(30)28-9-6-18-17(2-1-3-19(18)28)16-4-7-24-8-5-16/h1-5,7-8,15H,6,9-14H2,(H,25,26,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization