(E)-3-[2-(difluoromethoxy)phenyl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
Formula:C17H12O3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)phenyl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)phenyl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C17H12O3F4 |
| Smiles | O=C(/C=C/c(cccc1)c1OC(F)F)c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H12F4O3/c18-16(19)23-13-8-5-11(6-9-13)14(22)10-7-12-3-1-2-4-15(12)24-17(20)21/h1-10,16-17H |
| InChIK | SECCOERTNNXBLL-UHFFFAOYSA-N |
| TotalMolweight | 340.271 |
| Molweight | 340.271 |
| MonoisotopicMass | 340.072257 |
| CLogP | 3.6426 |
| CLogS | -5.084 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.67 |
| Relative PSA | 0.1334 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -2.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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