2-fluoro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide
Formula:C20H14NO2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide |
| MolecularFormula | C20H14NO2FS |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1NC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C20H14FNO2S/c21-18-6-2-1-5-17(18)20(24)22-15-9-7-14(8-10-15)19(23)12-11-16-4-3-13-25-16/h1-13H,(H,22,24) |
| InChIK | JBQQXEVNUURFDX-UHFFFAOYSA-N |
| TotalMolweight | 351.4 |
| Molweight | 351.4 |
| MonoisotopicMass | 351.072927 |
| CLogP | 4.4187 |
| CLogS | -5.676 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.53 |
| Relative PSA | 0.21562 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | 2.5733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-fluoro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide | 2 - 2-fluoro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide
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