1-[(E)-1,2-dibromo-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
Formula:C9H11OBr2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-1,2-dibromo-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol is a drug-like molecule.
| MolName | 1-[(E)-1,2-dibromo-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol |
| MolecularFormula | C9H11OBr2F3 |
| Smiles | OC1(CCCCC1)/C(/Br)=C(/C(F)(F)F)\Br |
| InChI | InChI=1S/C9H11Br2F3O/c10-6(7(11)9(12,13)14)8(15)4-2-1-3-5-8/h15H,1-5H2 |
| InChIK | KJBSUQJPCFBOAR-UHFFFAOYSA-N |
| TotalMolweight | 351.987 |
| Molweight | 351.987 |
| MonoisotopicMass | 349.912871 |
| CLogP | 3.824 |
| CLogS | -4.578 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 175.2 |
| Relative PSA | 0.074772 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -16.666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-[(E)-1,2-dibromo-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol | 2 - 1-[(E)-1,2-dibromo-3,3,3-trifluoroprop-1-enyl]cyclohexan-1-ol
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