Molecule ID: mol8567
SMILES: NC(CC(=O)O)c1ccccc1
InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.14 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | IUPAC digitized pKa | 1 » 0 |
| 2.21 | IUPAC digitized pKa | 1 » 0 |
| 2.23 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | IUPAC digitized pKa | 1 » 0 |
| 8.89 | IUPAC digitized pKa | 0 » -1 |
| 8.96 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.31 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.38 | IUPAC digitized pKa | 0 » -1 |
| 9.66 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.95 | IUPAC digitized pKa | 0 » -1 |