Molecule ID: mol14851
SMILES: Nc1ccc2[nH]c(CCc3ccccc3)nc2c1
InChI: InChI=1S/C15H15N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,16H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | Datawarrior | 1 » 0 |