Molecule ID: mol17890

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

InChI: InChI=1S/C12H18ClN5/c1-2-3-8-16-11(14)18-12(15)17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3,(H5,14,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization