(4-chlorophenyl) (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
Formula:C16H10O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate is not a drug-like molecule.
| MolName | (4-chlorophenyl) (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C16H10O3ClF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)(F)F)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H10ClF3O3/c17-12-4-8-13(9-5-12)22-15(21)10-3-11-1-6-14(7-2-11)23-16(18,19)20/h1-10H |
| InChIK | XAFXIHXEXVIUCF-UHFFFAOYSA-N |
| TotalMolweight | 342.699 |
| Molweight | 342.699 |
| MonoisotopicMass | 342.027056 |
| CLogP | 5.1243 |
| CLogS | -5.215 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.15 |
| Relative PSA | 0.13644 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -11.19 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (4-chlorophenyl) (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate | 2 - (4-chlorophenyl) (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
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