Molecule ID: mol20433

SMILES: NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12

InChI: InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization