(2Z)-7-fluoro-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]-3H-inden-1-one
Formula:C23H15NOF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-7-fluoro-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-7-fluoro-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]-3H-inden-1-one |
| MolecularFormula | C23H15NOF4 |
| Smiles | O=C(/C(/C(c1ccc2)c3ccccc3)=C\Nc3cc(C(F)(F)F)ccc3)c1c2F |
| InChI | InChI=1S/C23H15F4NO/c24-19-11-5-10-17-20(14-6-2-1-3-7-14)18(22(29)21(17)19)13-28-16-9-4-8-15(12-16)23(25,26)27/h1-13,20,28H/t20-/m0/s1 |
| InChIK | CAEYFQZJCKRDNE-FQEVSTJZSA-N |
| TotalMolweight | 397.37 |
| Molweight | 397.37 |
| MonoisotopicMass | 397.108976 |
| CLogP | 4.7344 |
| CLogS | -6.2 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 281.51 |
| Relative PSA | 0.087031 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.3254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - (2Z)-7-fluoro-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]-3H-inden-1-one | 2 - (2Z)-7-fluoro-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]-3H-inden-1-one
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