(2Z)-2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
Formula:C20H10O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C20H10O2ClF3S |
| Smiles | O=C1c(cccc2)c2S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1 |
| InChI | InChI=1S/C20H10ClF3O2S/c21-15-7-5-11(20(22,23)24)9-14(15)16-8-6-12(26-16)10-18-19(25)13-3-1-2-4-17(13)27-18/h1-10H |
| InChIK | JLLKLXLNCWDVKI-UHFFFAOYSA-N |
| TotalMolweight | 406.81 |
| Molweight | 406.81 |
| MonoisotopicMass | 406.004211 |
| CLogP | 5.4629 |
| CLogS | -7.73 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.8 |
| Relative PSA | 0.16304 |
| PolarSurfaceArea | 55.51 |
| Druglikeness | -4.5942 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one | 2 - (2Z)-2-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off