Molecule ID: mol17124

SMILES: C=CCN(C1=NCCN1)c1c(Cl)cccc1Cl

InChI: InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.42 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization