N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]benzamide
Formula:C20H15NO2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]benzamide |
| MolecularFormula | C20H15NO2S |
| Smiles | O=C(/C=C/c(cc1)ccc1NC(c1ccccc1)=O)c1cccs1 |
| InChI | InChI=1S/C20H15NO2S/c22-18(19-7-4-14-24-19)13-10-15-8-11-17(12-9-15)21-20(23)16-5-2-1-3-6-16/h1-14H,(H,21,23) |
| InChIK | OCHFRPNTVSUJBA-UHFFFAOYSA-N |
| TotalMolweight | 333.41 |
| Molweight | 333.41 |
| MonoisotopicMass | 333.082349 |
| CLogP | 4.3179 |
| CLogS | -5.362 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.18 |
| Relative PSA | 0.22084 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | 4.1721 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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