Molecule ID: mol17392

SMILES: O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3cccnc3)cccc21

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