(Z)-2-(1-benzothiophen-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C18H10NF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1-benzothiophen-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(1-benzothiophen-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C18H10NF3S |
| Smiles | N#C/C(/c1csc2c1cccc2)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H10F3NS/c19-18(20,21)14-7-5-12(6-8-14)9-13(10-22)16-11-23-17-4-2-1-3-15(16)17/h1-9,11H |
| InChIK | LUMKLNLDACEEPG-UHFFFAOYSA-N |
| TotalMolweight | 329.344 |
| Molweight | 329.344 |
| MonoisotopicMass | 329.048603 |
| CLogP | 5.0199 |
| CLogS | -5.646 |
| H Acceptors | 1 |
| TotalSurfaceArea | 239.44 |
| Relative PSA | 0.14166 |
| PolarSurfaceArea | 52.03 |
| Druglikeness | -11.326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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