(E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H10OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H10OS |
| Smiles | O=C(/C=C/c1ccccc1)c1cccs1 |
| InChI | InChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H |
| InChIK | DDNPADUKGZMCHV-UHFFFAOYSA-N |
| TotalMolweight | 214.287 |
| Molweight | 214.287 |
| MonoisotopicMass | 214.045235 |
| CLogP | 3.1704 |
| CLogS | -3.85 |
| H Acceptors | 1 |
| TotalSurfaceArea | 173.21 |
| Relative PSA | 0.19283 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 2.7425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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