Molecule ID: mol17062
SMILES: [N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | Baltruschat ChEMBL | 1 » 0 |