(2Z,3R)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one
Formula:C22H14OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,3R)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z,3R)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H14OF2 |
| Smiles | O=C(/C(/[C@@H]1c2ccccc2)=C\c(cc(cc2)F)c2F)c2c1cccc2 |
| InChI | InChI=1S/C22H14F2O/c23-16-10-11-20(24)15(12-16)13-19-21(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22(19)25/h1-13,21H/t21-/m1/s1 |
| InChIK | YHCOALRWQXAFKV-OAQYLSRUSA-N |
| TotalMolweight | 332.348 |
| Molweight | 332.348 |
| MonoisotopicMass | 332.101271 |
| CLogP | 4.8162 |
| CLogS | -5.79 |
| H Acceptors | 1 |
| TotalSurfaceArea | 246.94 |
| Relative PSA | 0.052806 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.88838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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