Molecule ID: mol7852

SMILES: CC1=Nc2ccc(F)cc2C(O)(C(N)=O)N1

InChI: InChI=1S/C10H10FN3O2/c1-5-13-8-3-2-6(11)4-7(8)10(16,14-5)9(12)15/h2-4,16H,1H3,(H2,12,15)(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.13 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization