Molecule ID: mol29058

SMILES: N[C@@H](Cc1c(F)c(F)c(CP(=O)(O)O)c(F)c1F)C(=O)O

InChI: InChI=1S/C10H10F4NO5P/c11-6-3(1-5(15)10(16)17)7(12)9(14)4(8(6)13)2-21(18,19)20/h5H,1-2,15H2,(H,16,17)(H2,18,19,20)/t5-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization