Molecule ID: mol19971
SMILES: CCCCN(CCCC)P(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]
InChI: InChI=1S/C18H31N6O6P/c1-4-6-8-23(9-7-5-2)31(27,28)29-12-15-14(21-22-19)10-16(30-15)24-11-13(3)17(25)20-18(24)26/h11,14-16H,4-10,12H2,1-3H3,(H,27,28)(H,20,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.25 | Baltruschat ChEMBL | -1 » -2 |