Molecule ID: mol17136

SMILES: Brc1ccc(N(CC2CC2)C2=NCCN2)c(Br)c1

InChI: InChI=1S/C13H15Br2N3/c14-10-3-4-12(11(15)7-10)18(8-9-1-2-9)13-16-5-6-17-13/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)

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