[4-fluoro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate
Formula:C22H13O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-fluoro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate is not a drug-like molecule.
| MolName | [4-fluoro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate |
| MolecularFormula | C22H13O3F3 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)c(cc(cc1)F)c1OC(c(cc1)ccc1F)=O |
| InChI | InChI=1S/C22H13F3O3/c23-16-6-1-14(2-7-16)3-11-20(26)19-13-18(25)10-12-21(19)28-22(27)15-4-8-17(24)9-5-15/h1-13H |
| InChIK | NCZZASCPQZZGNN-UHFFFAOYSA-N |
| TotalMolweight | 382.336 |
| Molweight | 382.336 |
| MonoisotopicMass | 382.081679 |
| CLogP | 5.0367 |
| CLogS | -6.252 |
| H Acceptors | 3 |
| TotalSurfaceArea | 283.83 |
| Relative PSA | 0.12712 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.2618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-fluoro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate | 2 - [4-fluoro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate
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