Molecule ID: mol17793
SMILES: C#CCOC(=O)Nc1cc(Cl)ccc1O
InChI: InChI=1S/C10H8ClNO3/c1-2-5-15-10(14)12-8-6-7(11)3-4-9(8)13/h1,3-4,6,13H,5H2,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.55 | OCHEM | -1 » -2 |
| 13.55 | Baltruschat ChEMBL | -1 » -2 |