Molecule ID: mol5381
SMILES: CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)O
InChI: InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | QSARToolbox | 1 » 0 |
| 3.26 | QSARToolbox | 1 » 0 |
| 3.27 | IUPAC digitized pKa | 1 » 0 |
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | AttenGpKa training set | 0 » -1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 7.97 | IUPAC digitized pKa | 0 » -1 |