Molecule ID: mol12800

SMILES: Nc1cc2c(cc1Br)CCCC2

InChI: InChI=1S/C10H12BrN/c11-9-5-7-3-1-2-4-8(7)6-10(9)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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization