Molecule ID: mol20438

SMILES: NC1=Nc2c(ccc(F)c2F)[C@H]2CCC[C@@H]12

InChI: InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1

Experimental Macro pKa Values

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