(2E,6E)-2,6-bis[(4-iodophenyl)methylidene]cyclohexan-1-one
Formula:C20H16OI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2,6-bis[(4-iodophenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E,6E)-2,6-bis[(4-iodophenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H16OI2 |
| Smiles | O=C(/C(/CCC1)=C/c(cc2)ccc2I)/C1=C/c(cc1)ccc1I |
| InChI | InChI=1S/C20H16I2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2 |
| InChIK | WHGWTAIGASVEFC-UHFFFAOYSA-N |
| TotalMolweight | 526.146 |
| Molweight | 526.146 |
| MonoisotopicMass | 525.929061 |
| CLogP | 5.7122 |
| CLogS | -6.622 |
| H Acceptors | 1 |
| TotalSurfaceArea | 280.53 |
| Relative PSA | 0.046483 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.5033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| StereoCon |
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