Molecule ID: mol16259

SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1

InChI: InChI=1S/C19H16BrFN6O2/c1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21/h2-5,8-11H,6-7H2,1H3,(H,22,23,25)

Experimental Macro pKa Values

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