Molecule ID: mol1017

SMILES: Cc1cc(Br)c(N)c(Br)c1

InChI: InChI=1S/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.69 QSARToolbox 1 » 0
0.69 QSARToolbox 1 » 0
0.69 IUPAC digitized pKa 1 » 0
0.69 Datawarrior 1 » 0
0.69 OCHEM 1 » 0
0.69 OCHEM 1 » 0
0.69 Hunt 1 » 0
0.69 OCHEM 1 » 0
0.69 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization