(2E,6E)-2-[(2,4-dichlorophenyl)methylidene]-6-(furan-2-ylmethylidene)cyclohexan-1-one
Formula:C18H14O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2-[(2,4-dichlorophenyl)methylidene]-6-(furan-2-ylmethylidene)cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E,6E)-2-[(2,4-dichlorophenyl)methylidene]-6-(furan-2-ylmethylidene)cyclohexan-1-one |
| MolecularFormula | C18H14O2Cl2 |
| Smiles | O=C(/C(/CCC1)=C/c2ccco2)/C1=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H14Cl2O2/c19-15-7-6-12(17(20)11-15)9-13-3-1-4-14(18(13)21)10-16-5-2-8-22-16/h2,5-11H,1,3-4H2 |
| InChIK | AAQBOIFIOHVUMO-UHFFFAOYSA-N |
| TotalMolweight | 333.213 |
| Molweight | 333.213 |
| MonoisotopicMass | 332.037084 |
| CLogP | 5.2387 |
| CLogS | -5.744 |
| H Acceptors | 2 |
| TotalSurfaceArea | 248.5 |
| Relative PSA | 0.10926 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -2.2337 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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