Molecule ID: mol5440
SMILES: NC(=O)[C@@H](N)Cc1ccccc1
InChI: InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.22 | IUPAC digitized pKa | 1 » 0 |
| 7.26 | QSARToolbox | 1 » 0 |
| 7.45 | IUPAC digitized pKa | 1 » 0 |