Molecule ID: mol16270

SMILES: CC1(C)C(=O)NC(=N)N1CCc1cccc(Cl)c1

InChI: InChI=1S/C13H16ClN3O/c1-13(2)11(18)16-12(15)17(13)7-6-9-4-3-5-10(14)8-9/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization