(E)-1-thiophen-2-yl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C18H11O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-thiophen-2-yl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-thiophen-2-yl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C18H11O2F3S |
| Smiles | O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2)o1)c1cccs1 |
| InChI | InChI=1S/C18H11F3O2S/c19-18(20,21)13-4-1-3-12(11-13)16-9-7-14(23-16)6-8-15(22)17-5-2-10-24-17/h1-11H |
| InChIK | RUYFKMQDALRWSJ-UHFFFAOYSA-N |
| TotalMolweight | 348.343 |
| Molweight | 348.343 |
| MonoisotopicMass | 348.043184 |
| CLogP | 4.9576 |
| CLogS | -6.088 |
| H Acceptors | 2 |
| TotalSurfaceArea | 252.12 |
| Relative PSA | 0.18844 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | -3.5411 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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