Molecule ID: mol21228

SMILES: N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc(Cl)c3Cl)n2)cc1

InChI: InChI=1S/C17H11Cl3N6/c18-12-5-6-13(19)15(20)11(12)7-14-24-16(22)26-17(25-14)23-10-3-1-9(8-21)2-4-10/h1-6H,7H2,(H3,22,23,24,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization