Molecule ID: mol14476
SMILES: C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1
InChI: InChI=1S/C11H17N3O2/c1-14(2,3)6-7-16-11(15)5-4-10-8-12-9-13-10/h4-5,8-9H,6-7H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 2 » 1 |
| 4.60 | QSARToolbox | 2 » 1 |
| 4.60 | Datawarrior | 2 » 1 |