Molecule ID: mol8456
SMILES: O=C(O)c1ccccc1NCCO
InChI: InChI=1S/C9H11NO3/c11-6-5-10-8-4-2-1-3-7(8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.05 | IUPAC digitized pKa | 1 » 0 |
| 4.87 | IUPAC digitized pKa | 0 » -1 |