Molecule ID: mol14925
SMILES: CCC1(c2ccccc2)C(=O)NC(=S)N(C)C1=O
InChI: InChI=1S/C13H14N2O2S/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Datawarrior | 0 » -1 |
| 7.65 | QSARToolbox | 0 » -1 |
| 7.65 | QSARToolbox | 0 » -1 |
| 7.65 | OCHEM | 0 » -1 |