(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(4-bromophenyl)prop-2-en-1-one
Formula:C17H11O3BrF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(4-bromophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(4-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C17H11O3BrF4 |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C17H11BrF4O3/c18-11-4-1-10(2-5-11)3-8-14(23)13-7-6-12(24-16(19)20)9-15(13)25-17(21)22/h1-9,16-17H |
| InChIK | CMKOAJXPUJTPEP-UHFFFAOYSA-N |
| TotalMolweight | 419.167 |
| Molweight | 419.167 |
| MonoisotopicMass | 417.982768 |
| CLogP | 4.3678 |
| CLogS | -5.918 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.3 |
| Relative PSA | 0.12407 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -4.365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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