(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C11H5NF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C11H5NF6 |
| Smiles | N#C/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C11H5F6N/c12-10(13,14)8-4-7(2-1-3-18)5-9(6-8)11(15,16)17/h1-2,4-6H |
| InChIK | XZINYAZSRZTYPY-UHFFFAOYSA-N |
| TotalMolweight | 265.156 |
| Molweight | 265.156 |
| MonoisotopicMass | 265.032617 |
| CLogP | 3.6924 |
| CLogS | -4.228 |
| H Acceptors | 1 |
| TotalSurfaceArea | 180.39 |
| Relative PSA | 0.07517 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -12.897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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