Molecule ID: mol17120

SMILES: CC(C)CN(C1=NCCN1)c1c(Br)cccc1Br

InChI: InChI=1S/C13H17Br2N3/c1-9(2)8-18(13-16-6-7-17-13)12-10(14)4-3-5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization