Molecule ID: mol12799

SMILES: Nc1ccc2c(c1Br)CCCC2

InChI: InChI=1S/C10H12BrN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h5-6H,1-4,12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.05 QSARToolbox 1 » 0
3.05 Datawarrior 1 » 0
3.05 OCHEM 1 » 0
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Charge States and Microspecies Visualization