Molecule ID: mol16223
SMILES: CCCNC(=O)Cn1cccc(O)c1=O
InChI: InChI=1S/C10H14N2O3/c1-2-5-11-9(14)7-12-6-3-4-8(13)10(12)15/h3-4,6,13H,2,5,7H2,1H3,(H,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.46 | AttenGpKa training set | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |
| 8.75 | Baltruschat ChEMBL | 0 » -1 |