Molecule ID: mol11791
SMILES: CCC1(c2ccccc2)C(=O)NC(=S)NC1=O
InChI: InChI=1S/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | Datawarrior | 0 » -1 |
| 6.30 | OCHEM | 0 » -1 |