Molecule ID: mol5435
SMILES: COc1ccc(C[C@H](N)C(=O)O)c(F)c1
InChI: InChI=1S/C10H12FNO3/c1-15-7-3-2-6(8(11)5-7)4-9(12)10(13)14/h2-3,5,9H,4,12H2,1H3,(H,13,14)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 9.03 | IUPAC digitized pKa | 0 » -1 |