Molecule ID: mol14458
SMILES: O=C(O)C(CO)NCc1cc(Cl)ccc1O
InChI: InChI=1S/C10H12ClNO4/c11-7-1-2-9(14)6(3-7)4-12-8(5-13)10(15)16/h1-3,8,12-14H,4-5H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | OCHEM | 1 » 0 |
| 2.12 | Datawarrior | 1 » 0 |
| 7.95 | QSARToolbox | 0 » -1 |
| 7.95 | Datawarrior | 0 » -1 |
| 10.15 | Datawarrior | -1 » -2 |
| 10.15 | OCHEM | -1 » -2 |