(2Z)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3H-inden-1-one
Formula:C22H12O2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3H-inden-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3H-inden-1-one |
| MolecularFormula | C22H12O2F6 |
| Smiles | O=C(/C(/C1)=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c2c1cccc2 |
| InChI | InChI=1S/C22H12F6O2/c23-21(24,25)15-8-13(9-16(11-15)22(26,27)28)19-6-5-17(30-19)10-14-7-12-3-1-2-4-18(12)20(14)29/h1-6,8-11H,7H2 |
| InChIK | PKNKTVXERHHSBW-UHFFFAOYSA-N |
| TotalMolweight | 422.323 |
| Molweight | 422.323 |
| MonoisotopicMass | 422.074148 |
| CLogP | 6.3063 |
| CLogS | -7.029 |
| H Acceptors | 2 |
| TotalSurfaceArea | 284.11 |
| Relative PSA | 0.095562 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -5.1815 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - (2Z)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3H-inden-1-one | 2 - (2Z)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3H-inden-1-one
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