Molecule ID: mol5382
SMILES: N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChI: InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | IUPAC digitized pKa | 1 » 0 |
| 3.11 | IUPAC digitized pKa | 1 » 0 |
| 3.13 | IUPAC digitized pKa | 1 » 0 |
| 3.13 | QSARToolbox | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 7.38 | QSARToolbox | 0 » -1 |
| 7.62 | QSARToolbox | 0 » -1 |
| 7.62 | IUPAC digitized pKa | 0 » -1 |
| 7.74 | IUPAC digitized pKa | 0 » -1 |
| 8.41 | IUPAC digitized pKa | 0 » -1 |