(2Z)-7-(4-chlorophenoxy)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one
Formula:C28H17O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-7-(4-chlorophenoxy)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one is not a drug-like molecule.
| MolName | (2Z)-7-(4-chlorophenoxy)-2-[(2,5-difluorophenyl)methylidene]-3-phenyl-3H-inden-1-one |
| MolecularFormula | C28H17O2ClF2 |
| Smiles | O=C(/C(/C(c1ccc2)c3ccccc3)=C\c(cc(cc3)F)c3F)c1c2Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C28H17ClF2O2/c29-19-9-12-21(13-10-19)33-25-8-4-7-22-26(17-5-2-1-3-6-17)23(28(32)27(22)25)16-18-15-20(30)11-14-24(18)31/h1-16,26H/t26-/m0/s1 |
| InChIK | ZRHLHBLBSWIZHT-SANMLTNESA-N |
| TotalMolweight | 458.89 |
| Molweight | 458.89 |
| MonoisotopicMass | 458.088513 |
| CLogP | 6.8178 |
| CLogS | -8.823 |
| H Acceptors | 2 |
| TotalSurfaceArea | 332.12 |
| Relative PSA | 0.069373 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.83964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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