9-[(E)-1,2-difluoro-2-phenylethenyl]-9-phenylfluorene
Formula:C27H18F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
9-[(E)-1,2-difluoro-2-phenylethenyl]-9-phenylfluorene is not a drug-like molecule.
| MolName | 9-[(E)-1,2-difluoro-2-phenylethenyl]-9-phenylfluorene |
| MolecularFormula | C27H18F2 |
| Smiles | F/C(/C1(c(cccc2)c2-c2c1cccc2)c1ccccc1)=C(\c1ccccc1)/F |
| InChI | InChI=1S/C27H18F2/c28-25(19-11-3-1-4-12-19)26(29)27(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)27/h1-18H |
| InChIK | QIOKOGNQFYGVPU-UHFFFAOYSA-N |
| TotalMolweight | 380.436 |
| Molweight | 380.436 |
| MonoisotopicMass | 380.137656 |
| CLogP | 7.2688 |
| CLogS | -7.47 |
| TotalSurfaceArea | 285.07 |
| Druglikeness | -2.5034 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37931 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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