Molecule ID: mol11580
SMILES: CCC1(c2ccccc2)NC(=O)NC1=O
InChI: InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |