9-benzyl-9-[(E)-1,2-difluoro-2-phenylethenyl]fluorene
Formula:C28H20F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
9-benzyl-9-[(E)-1,2-difluoro-2-phenylethenyl]fluorene is not a drug-like molecule.
| MolName | 9-benzyl-9-[(E)-1,2-difluoro-2-phenylethenyl]fluorene |
| MolecularFormula | C28H20F2 |
| Smiles | F/C(/C1(Cc2ccccc2)c(cccc2)c2-c2c1cccc2)=C(\c1ccccc1)/F |
| InChI | InChI=1S/C28H20F2/c29-26(21-13-5-2-6-14-21)27(30)28(19-20-11-3-1-4-12-20)24-17-9-7-15-22(24)23-16-8-10-18-25(23)28/h1-18H,19H2 |
| InChIK | KXGKMZNRFSEKEC-UHFFFAOYSA-N |
| TotalMolweight | 394.463 |
| Molweight | 394.463 |
| MonoisotopicMass | 394.153306 |
| CLogP | 7.796 |
| CLogS | -7.192 |
| TotalSurfaceArea | 298.83 |
| Druglikeness | -2.2308 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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