(E)-1-naphthalen-2-yl-3-thiophen-3-ylprop-2-en-1-one
Formula:C17H12OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-naphthalen-2-yl-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-naphthalen-2-yl-3-thiophen-3-ylprop-2-en-1-one |
| MolecularFormula | C17H12OS |
| Smiles | O=C(/C=C/c1cscc1)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C17H12OS/c18-17(8-5-13-9-10-19-12-13)16-7-6-14-3-1-2-4-15(14)11-16/h1-12H |
| InChIK | SKAPYXOAIMWASI-UHFFFAOYSA-N |
| TotalMolweight | 264.347 |
| Molweight | 264.347 |
| MonoisotopicMass | 264.060885 |
| CLogP | 4.2826 |
| CLogS | -5.346 |
| H Acceptors | 1 |
| TotalSurfaceArea | 207.81 |
| Relative PSA | 0.16072 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 0.72834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| 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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