(E)-3-(4-chlorophenyl)sulfanyl-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H9OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)sulfanyl-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)sulfanyl-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H9OClS2 |
| Smiles | O=C(/C=C/Sc(cc1)ccc1Cl)c1cccs1 |
| InChI | InChI=1S/C13H9ClOS2/c14-10-3-5-11(6-4-10)16-9-7-12(15)13-2-1-8-17-13/h1-9H |
| InChIK | MOWYXNUTQBRDHF-UHFFFAOYSA-N |
| TotalMolweight | 280.798 |
| Molweight | 280.798 |
| MonoisotopicMass | 279.978332 |
| CLogP | 3.8229 |
| CLogS | -4.974 |
| H Acceptors | 1 |
| TotalSurfaceArea | 206.12 |
| Relative PSA | 0.2469 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | 2.6212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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