(E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enamide
Formula:C8H5N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enamide |
| MolecularFormula | C8H5N2OBrS |
| Smiles | NC(/C(/C#N)=C/c1cc(Br)cs1)=O |
| InChI | InChI=1S/C8H5BrN2OS/c9-6-2-7(13-4-6)1-5(3-10)8(11)12/h1-2,4H,(H2,11,12) |
| InChIK | NLTGNRLHKJDXSK-UHFFFAOYSA-N |
| TotalMolweight | 257.111 |
| Molweight | 257.111 |
| MonoisotopicMass | 255.930594 |
| CLogP | 1.5199 |
| CLogS | -3.191 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 160.52 |
| Relative PSA | 0.38768 |
| PolarSurfaceArea | 95.12 |
| Druglikeness | -7.3555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
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