(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Formula:C14H8N2OBrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C14H8N2OBrFS |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H8BrFN2OS/c15-10-6-13(20-8-10)5-9(7-17)14(19)18-12-3-1-11(16)2-4-12/h1-6,8H,(H,18,19) |
| InChIK | ZWFXWWKTZMKUKG-UHFFFAOYSA-N |
| TotalMolweight | 351.199 |
| Molweight | 351.199 |
| MonoisotopicMass | 349.952472 |
| CLogP | 3.6809 |
| CLogS | -4.928 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.57 |
| Relative PSA | 0.25448 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -7.4195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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