(2Z)-2-[(3-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
Formula:C22H15O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[(3-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one |
| MolecularFormula | C22H15O3Br |
| Smiles | O=C1c(ccc(OCc2ccccc2)c2)c2O/C1=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C22H15BrO3/c23-17-8-4-7-16(11-17)12-21-22(24)19-10-9-18(13-20(19)26-21)25-14-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIK | GIBRMAZKJZDCJV-UHFFFAOYSA-N |
| TotalMolweight | 407.262 |
| Molweight | 407.262 |
| MonoisotopicMass | 406.020456 |
| CLogP | 5.3919 |
| CLogS | -6.317 |
| H Acceptors | 3 |
| TotalSurfaceArea | 274.13 |
| Relative PSA | 0.12053 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -1.9421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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