Molecule ID: mol32302
SMILES: C=CCN(CC=C)CCCNC(=O)C=NO
InChI: InChI=1S/C11H19N3O2/c1-3-7-14(8-4-2)9-5-6-12-11(15)10-13-16/h3-4,10,16H,1-2,5-9H2,(H,12,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.14 | OCHEM | 1 » 0 |
| 8.14 | QSARToolbox | 1 » 0 |
| 9.34 | OCHEM | 0 » -1 |