Molecule ID: mol17888

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

InChI: InChI=1S/C10H14ClN5/c1-2-14-9(12)16-10(13)15-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H5,12,13,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization