Molecule ID: mol17923

SMILES: Brc1ccc(N=C2NCCN2)cc1

InChI: InChI=1S/C9H10BrN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization