(2E,6E)-2,6-bis[(5-bromofuran-2-yl)methylidene]cyclohexan-1-one
Formula:C16H12O3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E,6E)-2,6-bis[(5-bromofuran-2-yl)methylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E,6E)-2,6-bis[(5-bromofuran-2-yl)methylidene]cyclohexan-1-one |
| MolecularFormula | C16H12O3Br2 |
| Smiles | O=C(/C(/CCC1)=C/c(o2)ccc2Br)/C1=C/c(o1)ccc1Br |
| InChI | InChI=1S/C16H12Br2O3/c17-14-6-4-12(20-14)8-10-2-1-3-11(16(10)19)9-13-5-7-15(18)21-13/h4-9H,1-3H2 |
| InChIK | QWVRXKRVNMVUMU-UHFFFAOYSA-N |
| TotalMolweight | 412.076 |
| Molweight | 412.076 |
| MonoisotopicMass | 409.915317 |
| CLogP | 4.8606 |
| CLogS | -5.148 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.61 |
| Relative PSA | 0.16868 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | -4.2215 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| StereoCon |
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