(Z)-3-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C16H8NCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-3-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C16H8NCl2F3 |
| Smiles | N#C/C(/c1cc(C(F)(F)F)ccc1)=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H8Cl2F3N/c17-14-5-4-11(15(18)8-14)6-12(9-22)10-2-1-3-13(7-10)16(19,20)21/h1-8H |
| InChIK | DWEZSONLCJQOTM-UHFFFAOYSA-N |
| TotalMolweight | 342.147 |
| Molweight | 342.147 |
| MonoisotopicMass | 340.998587 |
| CLogP | 5.3929 |
| CLogS | -5.879 |
| H Acceptors | 1 |
| TotalSurfaceArea | 239.74 |
| Relative PSA | 0.056561 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -12.158 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile | 2 - (Z)-3-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off