Molecule ID: mol8008

SMILES: Nc1nc(N)c2c(-c3ccc(Br)cc3)csc2n1

InChI: InChI=1S/C12H9BrN4S/c13-7-3-1-6(2-4-7)8-5-18-11-9(8)10(14)16-12(15)17-11/h1-5H,(H4,14,15,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.47 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization