Molecule ID: mol14768
SMILES: Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1
InChI: InChI=1S/C15H23N3O2/c1-11-9-13(16)10-12(2)14(11)15(19)17-3-4-18-5-7-20-8-6-18/h9-10H,3-8,16H2,1-2H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.96 | Datawarrior | 1 » 0 |
| 5.96 | OCHEM | 1 » 0 |
| 5.96 | QSARToolbox | 1 » 0 |