(2-chlorophenyl) (E)-3-thiophen-2-ylprop-2-enoate
Formula:C13H9O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-chlorophenyl) (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (2-chlorophenyl) (E)-3-thiophen-2-ylprop-2-enoate |
| MolecularFormula | C13H9O2ClS |
| Smiles | O=C(/C=C/c1cccs1)Oc(cccc1)c1Cl |
| InChI | InChI=1S/C13H9ClO2S/c14-11-5-1-2-6-12(11)16-13(15)8-7-10-4-3-9-17-10/h1-9H |
| InChIK | WOMHETSSXWJQMA-UHFFFAOYSA-N |
| TotalMolweight | 264.731 |
| Molweight | 264.731 |
| MonoisotopicMass | 264.001177 |
| CLogP | 3.8919 |
| CLogS | -4.202 |
| H Acceptors | 2 |
| TotalSurfaceArea | 198.63 |
| Relative PSA | 0.2185 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | -0.74498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64706 |
| 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 |
| StereoCon |
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1 - (2-chlorophenyl) (E)-3-thiophen-2-ylprop-2-enoate | 2 - (2-chlorophenyl) (E)-3-thiophen-2-ylprop-2-enoate
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