(3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one
Formula:C15H9O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one |
| MolecularFormula | C15H9O2Br |
| Smiles | O=C(c1c2cccc1)O/C2=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H |
| InChIK | GBOCONZWDUTOQA-UHFFFAOYSA-N |
| TotalMolweight | 301.138 |
| Molweight | 301.138 |
| MonoisotopicMass | 299.978591 |
| CLogP | 4.0357 |
| CLogS | -4.613 |
| H Acceptors | 2 |
| TotalSurfaceArea | 190.61 |
| Relative PSA | 0.12088 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.8138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one | 2 - (3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one
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