Molecule ID: mol18107
SMILES: CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChI: InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | AttenGpKa training set | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Baltruschat ChEMBL | 0 » -1 |