(E)-3-naphthalen-1-yl-1-thiophen-2-ylprop-2-en-1-one
Formula:C17H12OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-naphthalen-1-yl-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-naphthalen-1-yl-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C17H12OS |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c1cccs1 |
| InChI | InChI=1S/C17H12OS/c18-16(17-9-4-12-19-17)11-10-14-7-3-6-13-5-1-2-8-15(13)14/h1-12H |
| InChIK | VEBMVKFCWFEXEK-UHFFFAOYSA-N |
| TotalMolweight | 264.347 |
| Molweight | 264.347 |
| MonoisotopicMass | 264.060885 |
| CLogP | 4.3648 |
| CLogS | -5.456 |
| H Acceptors | 1 |
| TotalSurfaceArea | 207.81 |
| Relative PSA | 0.16072 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 2.7425 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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