(2Z)-6-[(2-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
Formula:C22H14O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-[(2-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one is not a drug-like molecule.
| MolName | (2Z)-6-[(2-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one |
| MolecularFormula | C22H14O3ClF |
| Smiles | O=C1c(ccc(OCc(cccc2)c2Cl)c2)c2O/C1=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C22H14ClFO3/c23-19-7-2-1-5-15(19)13-26-17-8-9-18-20(12-17)27-21(22(18)25)11-14-4-3-6-16(24)10-14/h1-12H,13H2 |
| InChIK | WZXNRAQFURYCOA-UHFFFAOYSA-N |
| TotalMolweight | 380.801 |
| Molweight | 380.801 |
| MonoisotopicMass | 380.06155 |
| CLogP | 5.3735 |
| CLogS | -6.533 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.27 |
| Relative PSA | 0.11916 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -1.384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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