(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
Formula:C19H12O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C19H12O2Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1)c1ccccc1 |
| InChI | InChI=1S/C19H12Cl2O2/c20-14-6-9-17(21)16(12-14)19-11-8-15(23-19)7-10-18(22)13-4-2-1-3-5-13/h1-12H |
| InChIK | DFVWAEMSSLABBF-UHFFFAOYSA-N |
| TotalMolweight | 343.208 |
| Molweight | 343.208 |
| MonoisotopicMass | 342.021434 |
| CLogP | 5.4547 |
| CLogS | -6.772 |
| H Acceptors | 2 |
| TotalSurfaceArea | 257.56 |
| Relative PSA | 0.10541 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 1.823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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