Molecule ID: mol16808
SMILES: Cc1onc(O)c1CC(N)C(=O)O
InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | OCHEM | 1 » 0 |
| 1.94 | OCHEM | 1 » 0 |
| 1.94 | Baltruschat ChEMBL | 1 » 0 |
| 2.10 | Baltruschat ChEMBL | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | Baltruschat ChEMBL | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | Baltruschat ChEMBL | 1 » 0 |
| 4.80 | Baltruschat ChEMBL | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Baltruschat ChEMBL | 1 » 0 |
| 5.20 | Baltruschat ChEMBL | 1 » 0 |
| 10.00 | OCHEM | -1 » -2 |
| 10.00 | Baltruschat ChEMBL | -1 » -2 |
| 10.09 | OCHEM | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 10.10 | Baltruschat ChEMBL | -1 » -2 |
| 10.10 | Baltruschat ChEMBL | -1 » -2 |