Molecule ID: mol8804
SMILES: NCC(=O)NCC(=O)NNC(=O)c1ccccc1
InChI: InChI=1S/C11H14N4O3/c12-6-9(16)13-7-10(17)14-15-11(18)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,16)(H,14,17)(H,15,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | IUPAC digitized pKa | 1 » 0 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |