(E)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C23H12O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C23H12O3Cl4 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(-c(cc(cc2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C23H12Cl4O3/c24-14-1-4-19(27)18(12-14)22-7-8-23(30-22)20(28)5-2-17-3-6-21(29-17)13-9-15(25)11-16(26)10-13/h1-12H |
| InChIK | RCXHDGJVHSCWID-UHFFFAOYSA-N |
| TotalMolweight | 478.157 |
| Molweight | 478.157 |
| MonoisotopicMass | 475.954053 |
| CLogP | 7.6056 |
| CLogS | -9.704 |
| H Acceptors | 3 |
| TotalSurfaceArea | 337.85 |
| Relative PSA | 0.12213 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | 2.1197 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (E)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-en-1-one
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