(2E,6E)-2,6-bis[(3-bromophenyl)methylidene]cyclohexan-1-one
Formula:C20H16OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2,6-bis[(3-bromophenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E,6E)-2,6-bis[(3-bromophenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H16OBr2 |
| Smiles | O=C(/C(/CCC1)=C/c2cc(Br)ccc2)/C1=C/c1cccc(Br)c1 |
| InChI | InChI=1S/C20H16Br2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2 |
| InChIK | AHJCUJSTWXHHHI-UHFFFAOYSA-N |
| TotalMolweight | 432.154 |
| Molweight | 432.154 |
| MonoisotopicMass | 429.956787 |
| CLogP | 6.2884 |
| CLogS | -6.258 |
| H Acceptors | 1 |
| TotalSurfaceArea | 265.23 |
| Relative PSA | 0.049165 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| 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 | 10 |
| StereoCon |
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