(2Z,3R)-7-fluoro-2-[(4-fluoroanilino)methylidene]-3-phenyl-3H-inden-1-one
Formula:C22H15NOF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,3R)-7-fluoro-2-[(4-fluoroanilino)methylidene]-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z,3R)-7-fluoro-2-[(4-fluoroanilino)methylidene]-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H15NOF2 |
| Smiles | O=C(/C(/[C@@H](c1ccc2)c3ccccc3)=C\Nc(cc3)ccc3F)c1c2F |
| InChI | InChI=1S/C22H15F2NO/c23-15-9-11-16(12-10-15)25-13-18-20(14-5-2-1-3-6-14)17-7-4-8-19(24)21(17)22(18)26/h1-13,20,25H/t20-/m0/s1 |
| InChIK | JYUPBYGTDSQHTH-FQEVSTJZSA-N |
| TotalMolweight | 347.363 |
| Molweight | 347.363 |
| MonoisotopicMass | 347.11217 |
| CLogP | 3.9869 |
| CLogS | -5.736 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 258.4 |
| Relative PSA | 0.094814 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.47543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (2Z,3R)-7-fluoro-2-[(4-fluoroanilino)methylidene]-3-phenyl-3H-inden-1-one | 2 - (2Z,3R)-7-fluoro-2-[(4-fluoroanilino)methylidene]-3-phenyl-3H-inden-1-one
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