(Z)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
Formula:C24H14NO2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile |
| MolecularFormula | C24H14NO2Cl2F3 |
| Smiles | N#C/C(/C(c1cc(C(F)(F)F)ccc1)=O)=C/c(cccc1)c1OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C24H14Cl2F3NO2/c25-20-8-4-9-21(26)19(20)14-32-22-10-2-1-5-15(22)11-17(13-30)23(31)16-6-3-7-18(12-16)24(27,28)29/h1-12H,14H2 |
| InChIK | QHIDFABLBQKAJK-UHFFFAOYSA-N |
| TotalMolweight | 476.28 |
| Molweight | 476.28 |
| MonoisotopicMass | 475.035367 |
| CLogP | 6.5642 |
| CLogS | -7.703 |
| H Acceptors | 3 |
| TotalSurfaceArea | 341.01 |
| Relative PSA | 0.10733 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -11.115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (Z)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile | 2 - (Z)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
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