(2Z,6Z)-2,6-bis[[5-(4-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one
Formula:C28H20O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z,6Z)-2,6-bis[[5-(4-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2Z,6Z)-2,6-bis[[5-(4-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one |
| MolecularFormula | C28H20O3Cl2 |
| Smiles | O=C(/C(/CCC1)=C\c2ccc(-c(cc3)ccc3Cl)o2)/C1=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C28H20Cl2O3/c29-22-8-4-18(5-9-22)26-14-12-24(32-26)16-20-2-1-3-21(28(20)31)17-25-13-15-27(33-25)19-6-10-23(30)11-7-19/h4-17H,1-3H2 |
| InChIK | GNYPSIWZPPKCAD-UHFFFAOYSA-N |
| TotalMolweight | 475.37 |
| Molweight | 475.37 |
| MonoisotopicMass | 474.078949 |
| CLogP | 7.9278 |
| CLogS | -8.982 |
| H Acceptors | 3 |
| TotalSurfaceArea | 357.71 |
| Relative PSA | 0.11534 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | -0.85149 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 17 |
| StereoCon |
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