Molecule ID: mol6265
SMILES: N#CCC(N)c1ccccc1
InChI: InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | OCHEM | 1 » 0 |
| 6.70 | QSARToolbox | 1 » 0 |
| 6.70 | IUPAC digitized pKa | 1 » 0 |
| 6.70 | Datawarrior | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |