Molecule ID: mol18096
SMILES: CNC(=O)CNC(=O)c1nccc(O)c1O
InChI: InChI=1S/C9H11N3O4/c1-10-6(14)4-12-9(16)7-8(15)5(13)2-3-11-7/h2-3,15H,4H2,1H3,(H,10,14)(H,11,13)(H,12,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | OCHEM | 0 » -1 |
| 6.30 | Baltruschat ChEMBL | 0 » -1 |