Molecule ID: mol842
SMILES: COc1ccc(C(=O)N(O)c2ccccc2C)cc1
InChI: InChI=1S/C15H15NO3/c1-11-5-3-4-6-14(11)16(18)15(17)12-7-9-13(19-2)10-8-12/h3-10,18H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | IUPAC digitized pKa | 0 » -1 |
| 8.44 | Hunt | 0 » -1 |
| 8.44 | AttenGpKa training set | 0 » -1 |