Molecule ID: mol21286

SMILES: CC1NC(N)=Nc2cccc(Cl)c21

InChI: InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization