(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
Formula:C19H13O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C19H13O2F |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2F)o1)c1ccccc1 |
| InChI | InChI=1S/C19H13FO2/c20-16-8-6-15(7-9-16)19-13-11-17(22-19)10-12-18(21)14-4-2-1-3-5-14/h1-13H |
| InChIK | UAASDMWOSPERCI-UHFFFAOYSA-N |
| TotalMolweight | 292.308 |
| Molweight | 292.308 |
| MonoisotopicMass | 292.089958 |
| CLogP | 4.3435 |
| CLogS | -5.614 |
| H Acceptors | 2 |
| TotalSurfaceArea | 233.07 |
| Relative PSA | 0.11649 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.41244 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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