(E)-4,4,4-trifluorobut-2-enamide
Formula:C4H4NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,4-trifluorobut-2-enamide is a drug-like molecule.
| MolName | (E)-4,4,4-trifluorobut-2-enamide |
| MolecularFormula | C4H4NOF3 |
| Smiles | NC(/C=C/C(F)(F)F)=O |
| InChI | InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9) |
| InChIK | UUJWVXVMQOGZID-UHFFFAOYSA-N |
| TotalMolweight | 139.076 |
| Molweight | 139.076 |
| MonoisotopicMass | 139.024498 |
| CLogP | 0.444 |
| CLogS | -1.587 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 95.73 |
| Relative PSA | 0.29573 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -8.3649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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