Molecule ID: mol17132

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

InChI: InChI=1S/C12H15Br2N3/c1-8(2)17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization