Molecule ID: mol20435

SMILES: NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@]12F

InChI: InChI=1S/C12H12ClFN2/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(15)16-10/h3-4,6,9H,1-2,5H2,(H2,15,16)/t9-,12+/m1/s1

Experimental Macro pKa Values

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