Molecule ID: mol26042

SMILES: O=C(O)Cn1nnnc1-c1cccc(Br)c1

InChI: InChI=1S/C9H7BrN4O2/c10-7-3-1-2-6(4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.14 QSARToolbox 0 » -1
3.14 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization