Molecule ID: mol34693

SMILES: CC(=O)C=C(O)Nc1ccc(Br)cc1

InChI: InChI=1S/C10H10BrNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-6,12,14H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.71 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization