(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C19H11O2Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C19H11O2Cl2F |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c(cc1)ccc1F |
| InChI | InChI=1S/C19H11Cl2FO2/c20-16-3-1-2-15(19(16)21)18-11-9-14(24-18)8-10-17(23)12-4-6-13(22)7-5-12/h1-11H |
| InChIK | MMDLFMTUOJVFTA-UHFFFAOYSA-N |
| TotalMolweight | 361.198 |
| Molweight | 361.198 |
| MonoisotopicMass | 360.012012 |
| CLogP | 5.5555 |
| CLogS | -7.086 |
| H Acceptors | 2 |
| TotalSurfaceArea | 263.91 |
| Relative PSA | 0.10288 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.48304 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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