Molecule ID: mol16812
SMILES: O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O)c1ccc2ccccc2c1
InChI: InChI=1S/C22H17FN2O3/c23-17-8-7-15-10-18(24-19(15)11-17)12-20(22(27)28)25-21(26)16-6-5-13-3-1-2-4-14(13)9-16/h1-11,20,24H,12H2,(H,25,26)(H,27,28)/t20-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | Baltruschat ChEMBL | 0 » -1 |