(E)-1-(furan-2-yl)-3-thiophen-3-ylprop-2-en-1-one
Formula:C11H8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(furan-2-yl)-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(furan-2-yl)-3-thiophen-3-ylprop-2-en-1-one |
| MolecularFormula | C11H8O2S |
| Smiles | O=C(/C=C/c1cscc1)c1ccco1 |
| InChI | InChI=1S/C11H8O2S/c12-10(11-2-1-6-13-11)4-3-9-5-7-14-8-9/h1-8H |
| InChIK | LIFFCYCWJGMLAV-UHFFFAOYSA-N |
| TotalMolweight | 204.249 |
| Molweight | 204.249 |
| MonoisotopicMass | 204.0245 |
| CLogP | 2.2769 |
| CLogS | -3.422 |
| H Acceptors | 2 |
| TotalSurfaceArea | 162.9 |
| Relative PSA | 0.29165 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | 1.0859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| StereoCon |
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