Molecule ID: mol20442

SMILES: NC1=Nc2ccccc2[C@H]2CCC[C@@]12F

InChI: InChI=1S/C12H13FN2/c13-12-7-3-5-9(12)8-4-1-2-6-10(8)15-11(12)14/h1-2,4,6,9H,3,5,7H2,(H2,14,15)/t9-,12+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization