Molecule ID: mol21230

SMILES: N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)nc(NO)n2)cc1

InChI: InChI=1S/C17H12Cl2N6O/c18-13-2-1-3-14(19)12(13)8-15-22-16(24-17(23-15)25-26)21-11-6-4-10(9-20)5-7-11/h1-7,26H,8H2,(H2,21,22,23,24,25)

Experimental Macro pKa Values

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