[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate
Formula:C19H12O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate |
| MolecularFormula | C19H12O4Cl2 |
| Smiles | O=C(C1CC1)Oc(cc1)cc(O/C2=C\c(c(Cl)ccc3)c3Cl)c1C2=O |
| InChI | InChI=1S/C19H12Cl2O4/c20-14-2-1-3-15(21)13(14)9-17-18(22)12-7-6-11(8-16(12)25-17)24-19(23)10-4-5-10/h1-3,6-10H,4-5H2 |
| InChIK | GILVOIJTQIIQFX-UHFFFAOYSA-N |
| TotalMolweight | 375.206 |
| Molweight | 375.206 |
| MonoisotopicMass | 374.011264 |
| CLogP | 4.8354 |
| CLogS | -6.43 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.09 |
| Relative PSA | 0.17924 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | 1.3395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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