(E)-2-cyano-3-thiophen-3-ylprop-2-enamide
Formula:C8H6N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-thiophen-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-thiophen-3-ylprop-2-enamide |
| MolecularFormula | C8H6N2OS |
| Smiles | NC(/C(/C#N)=C/c1cscc1)=O |
| InChI | InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11) |
| InChIK | ZXICRUZKUISQPW-UHFFFAOYSA-N |
| TotalMolweight | 178.215 |
| Molweight | 178.215 |
| MonoisotopicMass | 178.020083 |
| CLogP | 0.7125 |
| CLogS | -2.247 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 141.89 |
| Relative PSA | 0.43858 |
| PolarSurfaceArea | 95.12 |
| Druglikeness | -2.7757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
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