Molecule ID: mol17889

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

InChI: InChI=1S/C11H16ClN5/c1-2-7-15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H5,13,14,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization