(2Z)-2-[(3-bromophenyl)methylidene]-7-(4-chlorophenoxy)-3-phenyl-3H-inden-1-one
Formula:C28H18O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromophenyl)methylidene]-7-(4-chlorophenoxy)-3-phenyl-3H-inden-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[(3-bromophenyl)methylidene]-7-(4-chlorophenoxy)-3-phenyl-3H-inden-1-one |
| MolecularFormula | C28H18O2BrCl |
| Smiles | O=C(/C(/C1c2ccccc2)=C\c2cccc(Br)c2)c2c1cccc2Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C28H18BrClO2/c29-20-9-4-6-18(16-20)17-24-26(19-7-2-1-3-8-19)23-10-5-11-25(27(23)28(24)31)32-22-14-12-21(30)13-15-22/h1-17,26H/t26-/m1/s1 |
| InChIK | VQMNEGHZTXSVJI-AREMUKBSSA-N |
| TotalMolweight | 501.806 |
| Molweight | 501.806 |
| MonoisotopicMass | 500.017868 |
| CLogP | 7.3414 |
| CLogS | -9.029 |
| H Acceptors | 2 |
| TotalSurfaceArea | 338.05 |
| Relative PSA | 0.068156 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.2896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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