Molecule ID: mol15001
SMILES: NC(=O)c1c2cccc1COCCOCc1ncc([nH]1)COCCOC2
InChI: InChI=1S/C18H23N3O5/c19-18(22)17-13-2-1-3-14(17)10-24-5-7-26-12-16-20-8-15(21-16)11-25-6-4-23-9-13/h1-3,8H,4-7,9-12H2,(H2,19,22)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | QSARToolbox | 1 » 0 |
| 5.72 | OCHEM | 1 » 0 |
| 5.72 | Datawarrior | 1 » 0 |