Molecule ID: mol35731
SMILES: O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1
InChI: InChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)17-11-10-15-18-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2,(H,17,20)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | QSARToolbox | 1 » 0 |
| 5.65 | QSARToolbox | 1 » 0 |