Molecule ID: mol18679
SMILES: CC(=O)Nc1ccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc2c1
InChI: InChI=1S/C22H17N3O3/c1-13(26)23-16-10-11-18-20(12-16)25-19-5-3-2-4-17(19)21(18)24-15-8-6-14(7-9-15)22(27)28/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | Baltruschat ChEMBL | 0 » -1 |