(2Z)-2-benzylidenethietan-3-one
Formula:C10H8OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidenethietan-3-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidenethietan-3-one |
| MolecularFormula | C10H8OS |
| Smiles | O=C(CS1)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C10H8OS/c11-9-7-12-10(9)6-8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIK | MUCLRHFDBFHRKO-UHFFFAOYSA-N |
| TotalMolweight | 176.239 |
| Molweight | 176.239 |
| MonoisotopicMass | 176.029585 |
| CLogP | 2.0159 |
| CLogS | -2.889 |
| H Acceptors | 1 |
| TotalSurfaceArea | 133.47 |
| Relative PSA | 0.22874 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 1.6681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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