Molecule ID: mol14783

SMILES: Brc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3

InChI: InChI=1S/C16H17BrN2O/c17-11-4-5-15-13(10-11)16(19-6-8-20-9-7-19)12-2-1-3-14(12)18-15/h4-5,10H,1-3,6-9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization