(E)-3-(3-chlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H9OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H9OClS |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)c1cccs1 |
| InChI | InChI=1S/C13H9ClOS/c14-11-4-1-3-10(9-11)6-7-12(15)13-5-2-8-16-13/h1-9H |
| InChIK | GYNJBYWMEXITPZ-UHFFFAOYSA-N |
| TotalMolweight | 248.732 |
| Molweight | 248.732 |
| MonoisotopicMass | 248.006262 |
| CLogP | 3.7764 |
| CLogS | -4.586 |
| H Acceptors | 1 |
| TotalSurfaceArea | 188.63 |
| Relative PSA | 0.17707 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 2.7983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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