Molecule ID: mol15087
SMILES: CC(C)[C@H](C(=O)O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O
InChI: InChI=1S/C16H20N2O4/c1-10(2)14(16(21)22)18-9-12(15(18)20)17-13(19)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | Datawarrior | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |