(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C18H10O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C18H10O2ClF3S |
| Smiles | O=C(/C=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)c1cccs1 |
| InChI | InChI=1S/C18H10ClF3O2S/c19-14-6-3-11(18(20,21)22)10-13(14)16-8-5-12(24-16)4-7-15(23)17-2-1-9-25-17/h1-10H |
| InChIK | KKELUGZUYULYMJ-UHFFFAOYSA-N |
| TotalMolweight | 382.788 |
| Molweight | 382.788 |
| MonoisotopicMass | 382.004211 |
| CLogP | 5.5636 |
| CLogS | -6.824 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.54 |
| Relative PSA | 0.17758 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | -3.4845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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