3-bromo-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide
Formula:C20H14NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzamide |
| MolecularFormula | C20H14NO2BrS |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1NC(c1cccc(Br)c1)=O |
| InChI | InChI=1S/C20H14BrNO2S/c21-16-4-1-3-15(13-16)20(24)22-17-8-6-14(7-9-17)19(23)11-10-18-5-2-12-25-18/h1-13H,(H,22,24) |
| InChIK | SHKQTJMOSSWAIC-UHFFFAOYSA-N |
| TotalMolweight | 412.306 |
| Molweight | 412.306 |
| MonoisotopicMass | 410.99286 |
| CLogP | 5.0431 |
| CLogS | -6.196 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.81 |
| Relative PSA | 0.20619 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | 2.1233 |
| 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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