(E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)prop-2-en-1-one
Formula:C14H10O3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)prop-2-en-1-one |
| MolecularFormula | C14H10O3F2 |
| Smiles | O=C(/C=C/c1ccco1)c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C14H10F2O3/c15-14(16)19-12-5-3-10(4-6-12)13(17)8-7-11-2-1-9-18-11/h1-9,14H |
| InChIK | VLGDMXIASBNSMN-UHFFFAOYSA-N |
| TotalMolweight | 264.226 |
| Molweight | 264.226 |
| MonoisotopicMass | 264.059801 |
| CLogP | 2.6619 |
| CLogS | -4.144 |
| H Acceptors | 3 |
| TotalSurfaceArea | 202.16 |
| Relative PSA | 0.18377 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -2.4255 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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