(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one
Formula:C20H14OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H14OCl4 |
| Smiles | O=C(/C(/CCC1)=C/c(cc2)cc(Cl)c2Cl)/C1=C/c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H14Cl4O/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11H,1-3H2 |
| InChIK | KGCULKJZSULNHU-UHFFFAOYSA-N |
| TotalMolweight | 412.142 |
| Molweight | 412.142 |
| MonoisotopicMass | 409.979873 |
| CLogP | 7.262 |
| CLogS | -7.534 |
| H Acceptors | 1 |
| TotalSurfaceArea | 289.65 |
| Relative PSA | 0.04502 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -2.047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| StereoCon |
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