Molecule ID: mol7449
SMILES: CCC1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1O
InChI: InChI=1S/C18H23N3O4/c1-2-18(14-6-4-3-5-7-14)15(22)19-17(24)21(16(18)23)9-8-20-10-12-25-13-11-20/h3-7H,2,8-13H2,1H3,(H,19,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.44 | IUPAC digitized pKa | 1 » 0 |
| 7.86 | IUPAC digitized pKa | 0 » -1 |