Molecule ID: mol3257
SMILES: CC(=NO)C(C)(C)C(N)C(N)C(C)(C)C(C)=NO
InChI: InChI=1S/C12H26N4O2/c1-7(15-17)11(3,4)9(13)10(14)12(5,6)8(2)16-18/h9-10,17-18H,13-14H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | QSARToolbox | 2 » 1 |
| 5.58 | IUPAC digitized pKa | 2 » 1 |
| 8.04 | OCHEM | 2 » 1 |
| 8.04 | OCHEM | 2 » 1 |
| 8.34 | IUPAC digitized pKa | 1 » 0 |
| 8.34 | QSARToolbox | 2 » 1 |