Molecule ID: mol5436
SMILES: NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI: InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | QSARToolbox | 1 » 0 |
| 3.12 | QSARToolbox | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 4.13 | QSARToolbox | 1 » 0 |
| 8.16 | QSARToolbox | 0 » -1 |
| 8.16 | QSARToolbox | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |
| 8.28 | AttenGpKa training set | 0 » -1 |
| 8.32 | IUPAC digitized pKa | 0 » -1 |
| 8.63 | QSARToolbox | 0 » -1 |