(E)-3-(3-phenoxythiophen-2-yl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C17H12O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenoxythiophen-2-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-phenoxythiophen-2-yl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C17H12O2S2 |
| Smiles | O=C(/C=C/c(scc1)c1Oc1ccccc1)c1cccs1 |
| InChI | InChI=1S/C17H12O2S2/c18-14(16-7-4-11-20-16)8-9-17-15(10-12-21-17)19-13-5-2-1-3-6-13/h1-12H |
| InChIK | SVOPFTFJXVYQCT-UHFFFAOYSA-N |
| TotalMolweight | 312.412 |
| Molweight | 312.412 |
| MonoisotopicMass | 312.02787 |
| CLogP | 4.4326 |
| CLogS | -6.157 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.91 |
| Relative PSA | 0.26688 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | 2.7033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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