Molecule ID: mol1645

SMILES: CCN(CC)c1ccc(Br)cc1

InChI: InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.81 IUPAC digitized pKa 1 » 0
5.81 OCHEM 1 » 0
5.81 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization