(2Z)-2-(anilinomethylidene)-7-fluoro-3-phenyl-3H-inden-1-one
Formula:C22H16NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(anilinomethylidene)-7-fluoro-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-(anilinomethylidene)-7-fluoro-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H16NOF |
| Smiles | O=C(/C(/C(c1ccc2)c3ccccc3)=C\Nc3ccccc3)c1c2F |
| InChI | InChI=1S/C22H16FNO/c23-19-13-7-12-17-20(15-8-3-1-4-9-15)18(22(25)21(17)19)14-24-16-10-5-2-6-11-16/h1-14,20,24H/t20-/m0/s1 |
| InChIK | KLXAAZHEPNKLMA-FQEVSTJZSA-N |
| TotalMolweight | 329.373 |
| Molweight | 329.373 |
| MonoisotopicMass | 329.121592 |
| CLogP | 3.8861 |
| CLogS | -5.422 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 252.05 |
| Relative PSA | 0.097203 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.47543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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