Molecule ID: mol17887

SMILES: CNC(=N)NC(=N)Nc1ccc(Cl)cc1

InChI: InChI=1S/C9H12ClN5/c1-13-8(11)15-9(12)14-7-4-2-6(10)3-5-7/h2-5H,1H3,(H5,11,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization