Molecule ID: mol14998
SMILES: O=C(O)c1c2cccc1COCCOCc1ncc([nH]1)COCCOC2
InChI: InChI=1S/C18H22N2O6/c21-18(22)17-13-2-1-3-14(17)10-24-5-7-26-12-16-19-8-15(20-16)11-25-6-4-23-9-13/h1-3,8H,4-7,9-12H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | Datawarrior | 0 » -1 |
| 7.05 | QSARToolbox | 0 » -1 |
| 7.05 | OCHEM | 0 » -1 |