(E)-3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C10H5NBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C10H5NBrF3 |
| Smiles | N#C/C=C/c(cc1)c(C(F)(F)F)cc1Br |
| InChI | InChI=1S/C10H5BrF3N/c11-8-4-3-7(2-1-5-15)9(6-8)10(12,13)14/h1-4,6H |
| InChIK | KFHJEZXLORREAD-UHFFFAOYSA-N |
| TotalMolweight | 276.055 |
| Molweight | 276.055 |
| MonoisotopicMass | 274.955744 |
| CLogP | 3.5693 |
| CLogS | -4.284 |
| H Acceptors | 1 |
| TotalSurfaceArea | 169.56 |
| Relative PSA | 0.079972 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -14.687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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