(Z)-2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C17H9NF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C17H9NF6 |
| Smiles | N#C/C(/c1cccc(C(F)(F)F)c1)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H9F6N/c18-16(19,20)14-6-4-11(5-7-14)8-13(10-24)12-2-1-3-15(9-12)17(21,22)23/h1-9H |
| InChIK | IMBNBIFROMWBTM-UHFFFAOYSA-N |
| TotalMolweight | 341.253 |
| Molweight | 341.253 |
| MonoisotopicMass | 341.063917 |
| CLogP | 5.0292 |
| CLogS | -5.185 |
| H Acceptors | 1 |
| TotalSurfaceArea | 238.36 |
| Relative PSA | 0.056889 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -12.27 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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