(2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
Formula:C20H16O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H16O2Cl2 |
| Smiles | Oc1ccc(/C=C(/CCC/C2=C/c(cc3)cc(Cl)c3Cl)\C2=O)cc1 |
| InChI | InChI=1S/C20H16Cl2O2/c21-18-9-6-14(12-19(18)22)11-16-3-1-2-15(20(16)24)10-13-4-7-17(23)8-5-13/h4-12,23H,1-3H2 |
| InChIK | IMLOAMSUXFEQKT-UHFFFAOYSA-N |
| TotalMolweight | 359.251 |
| Molweight | 359.251 |
| MonoisotopicMass | 358.052734 |
| CLogP | 5.7043 |
| CLogS | -5.766 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 265.16 |
| Relative PSA | 0.098582 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -2.024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one | 2 - (2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
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