Molecule ID: mol18979
SMILES: N[C@H](CC1OC(=O)NC1=O)C(=O)O
InChI: InChI=1S/C6H8N2O5/c7-2(5(10)11)1-3-4(9)8-6(12)13-3/h2-3H,1,7H2,(H,10,11)(H,8,9,12)/t2-,3?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | Baltruschat ChEMBL | 1 » 0 |
| 3.60 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | -1 » -2 |