Molecule ID: mol16401
SMILES: CC1=NN(c2ccc(OCCCCCCO[N+](=O)[O-])cc2)C(=O)C1
InChI: InChI=1S/C16H21N3O5/c1-13-12-16(20)18(17-13)14-6-8-15(9-7-14)23-10-4-2-3-5-11-24-19(21)22/h6-9H,2-5,10-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | Baltruschat ChEMBL | 0 » -1 |