Molecule ID: mol14546
SMILES: CCCCc1c(-c2ccccc2)n[nH]c1O
InChI: InChI=1S/C13H16N2O/c1-2-3-9-11-12(14-15-13(11)16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | Datawarrior | 0 » -1 |