Molecule ID: mol20439

SMILES: NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F

InChI: InChI=1S/C12H12F2N2/c13-9-5-1-3-7-8-4-2-6-12(8,14)11(15)16-10(7)9/h1,3,5,8H,2,4,6H2,(H2,15,16)/t8-,12+/m1/s1

Experimental Macro pKa Values

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