Molecule ID: mol7252

SMILES: COc1cc(C(=O)c2cnc(N)nc2N)cc(Br)c1OC

InChI: InChI=1S/C13H13BrN4O3/c1-20-9-4-6(3-8(14)11(9)21-2)10(19)7-5-17-13(16)18-12(7)15/h3-5H,1-2H3,(H4,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization