Molecule ID: mol7146
SMILES: C=C(Br)C=CC1(C(C)C)C(=O)N(CCN2CCOCC2)C(=O)N=C1O
InChI: InChI=1S/C17H24BrN3O4/c1-12(2)17(5-4-13(3)18)14(22)19-16(24)21(15(17)23)7-6-20-8-10-25-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,19,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.98 | IUPAC digitized pKa | 1 » 0 |
| 8.64 | IUPAC digitized pKa | 0 » -1 |