(2Z)-2-[(3-bromophenyl)methylidene]-6-[(4-ethenylphenyl)methoxy]-1-benzofuran-3-one
Formula:C24H17O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromophenyl)methylidene]-6-[(4-ethenylphenyl)methoxy]-1-benzofuran-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[(3-bromophenyl)methylidene]-6-[(4-ethenylphenyl)methoxy]-1-benzofuran-3-one |
| MolecularFormula | C24H17O3Br |
| Smiles | C=Cc1ccc(COc(cc2)cc(O/C3=C\c4cccc(Br)c4)c2C3=O)cc1 |
| InChI | InChI=1S/C24H17BrO3/c1-2-16-6-8-17(9-7-16)15-27-20-10-11-21-22(14-20)28-23(24(21)26)13-18-4-3-5-19(25)12-18/h2-14H,1,15H2 |
| InChIK | RKFOKUSCBQNTRO-UHFFFAOYSA-N |
| TotalMolweight | 433.3 |
| Molweight | 433.3 |
| MonoisotopicMass | 432.036106 |
| CLogP | 6.0948 |
| CLogS | -7.122 |
| H Acceptors | 3 |
| TotalSurfaceArea | 298.67 |
| Relative PSA | 0.11062 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -4.6321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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