Molecule ID: mol11579
SMILES: O=c1[nH]c2cc3c(cc2[nH]1)CCCC3
InChI: InChI=1S/C11H12N2O/c14-11-12-9-5-7-3-1-2-4-8(7)6-10(9)13-11/h5-6H,1-4H2,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.05 | AttenGpKa training set | 0 » -1 |
| 12.21 | IUPAC digitized pKa | 0 » -1 |
| 12.21 | Datawarrior | 0 » -1 |
| 12.21 | OCHEM | 0 » -1 |