(6E)-6-[[4-(trifluoromethyl)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C19H15OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-[[4-(trifluoromethyl)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is not a drug-like molecule.
| MolName | (6E)-6-[[4-(trifluoromethyl)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C19H15OF3 |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C19H15F3O/c20-19(21,22)16-10-8-13(9-11-16)12-15-6-3-5-14-4-1-2-7-17(14)18(15)23/h1-2,4,7-12H,3,5-6H2 |
| InChIK | WCARSTXMLBPBTN-UHFFFAOYSA-N |
| TotalMolweight | 316.321 |
| Molweight | 316.321 |
| MonoisotopicMass | 316.107499 |
| CLogP | 5.2031 |
| CLogS | -5.331 |
| H Acceptors | 1 |
| TotalSurfaceArea | 232.72 |
| Relative PSA | 0.056033 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -9.314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (6E)-6-[[4-(trifluoromethyl)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one | 2 - (6E)-6-[[4-(trifluoromethyl)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
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