(4-fluorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate
Formula:C17H11O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-fluorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate is a drug-like molecule.
| MolName | (4-fluorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate |
| MolecularFormula | C17H11O2FS2 |
| Smiles | O=C(/C(/c1cscc1)=C\c1cccs1)Oc(cc1)ccc1F |
| InChI | InChI=1S/C17H11FO2S2/c18-13-3-5-14(6-4-13)20-17(19)16(12-7-9-21-11-12)10-15-2-1-8-22-15/h1-11H |
| InChIK | INZKHQNHJVHWKM-UHFFFAOYSA-N |
| TotalMolweight | 330.402 |
| Molweight | 330.402 |
| MonoisotopicMass | 330.018448 |
| CLogP | 4.5079 |
| CLogS | -4.637 |
| H Acceptors | 2 |
| TotalSurfaceArea | 243.47 |
| Relative PSA | 0.26188 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | 0.86307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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