(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C23H14O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C23H14O3BrCl |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2Br)o1)c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C23H14BrClO3/c24-17-5-1-15(2-6-17)21-12-10-19(27-21)9-11-20(26)23-14-13-22(28-23)16-3-7-18(25)8-4-16/h1-14H |
| InChIK | KLSLDHVUDSWCMC-UHFFFAOYSA-N |
| TotalMolweight | 453.718 |
| Molweight | 453.718 |
| MonoisotopicMass | 451.981483 |
| CLogP | 6.5128 |
| CLogS | -8.33 |
| H Acceptors | 3 |
| TotalSurfaceArea | 310.22 |
| Relative PSA | 0.133 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | 0.32969 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one
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