Molecule ID: mol359
SMILES: O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1
InChI: InChI=1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | OCHEM | 0 » -1 |
| 3.30 | AvLiLuMoVe | 0 » -1 |
| 3.30 | Settimo | 0 » -1 |