Molecule ID: mol17789
SMILES: CC#CCOC(=O)Nc1cc(Cl)ccc1O
InChI: InChI=1S/C11H10ClNO3/c1-2-3-6-16-11(15)13-9-7-8(12)4-5-10(9)14/h4-5,7,14H,6H2,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.16 | OCHEM | -1 » -2 |
| 14.16 | Baltruschat ChEMBL | -1 » -2 |