Molecule ID: mol15612
SMILES: CCC1(CC)C(=O)NC(=O)N(C(=O)c2ccccc2OC)C1=O
InChI: InChI=1S/C16H18N2O5/c1-4-16(5-2)13(20)17-15(22)18(14(16)21)12(19)10-8-6-7-9-11(10)23-3/h6-9H,4-5H2,1-3H3,(H,17,20,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.54 | QSARToolbox | 0 » -1 |
| 6.54 | Datawarrior | 0 » -1 |
| 6.54 | OCHEM | 0 » -1 |