[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
Formula:C24H18O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate is a drug-like molecule.
| MolName | [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate |
| MolecularFormula | C24H18O6 |
| Smiles | COc1cccc(/C=C2\Oc(cc(cc3)OC(c4cc(OC)ccc4)=O)c3C2=O)c1 |
| InChI | InChI=1S/C24H18O6/c1-27-17-7-3-5-15(11-17)12-22-23(25)20-10-9-19(14-21(20)30-22)29-24(26)16-6-4-8-18(13-16)28-2/h3-14H,1-2H3 |
| InChIK | SBZSIYBMAVXMOO-UHFFFAOYSA-N |
| TotalMolweight | 402.401 |
| Molweight | 402.401 |
| MonoisotopicMass | 402.11034 |
| CLogP | 4.6091 |
| CLogS | -5.648 |
| H Acceptors | 6 |
| TotalSurfaceArea | 304.01 |
| Relative PSA | 0.21736 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | 0.043074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate | 2 - [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
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