(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C17H10O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C17H10O2Cl2S |
| Smiles | O=C(/C=C/c1ccc(-c(c(Cl)ccc2)c2Cl)o1)c1cccs1 |
| InChI | InChI=1S/C17H10Cl2O2S/c18-12-3-1-4-13(19)17(12)15-9-7-11(21-15)6-8-14(20)16-5-2-10-22-16/h1-10H |
| InChIK | RCBRGYZJWVPSHK-UHFFFAOYSA-N |
| TotalMolweight | 349.236 |
| Molweight | 349.236 |
| MonoisotopicMass | 347.977854 |
| CLogP | 5.3213 |
| CLogS | -6.782 |
| H Acceptors | 2 |
| TotalSurfaceArea | 253.5 |
| Relative PSA | 0.18742 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | 3.7055 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| StereoCon |
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