Molecule ID: mol18036

SMILES: OCCCCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1

InChI: InChI=1S/C20H20N4O2/c25-11-3-1-2-4-14-5-7-15(8-6-14)20-23-19(24-26-20)16-9-10-17-18(12-16)22-13-21-17/h5-10,12-13,25H,1-4,11H2,(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.25 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization