1-[(Z)-2-bromoethenyl]cyclohexene
Formula:C8H11Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-2-bromoethenyl]cyclohexene is a drug-like molecule.
| MolName | 1-[(Z)-2-bromoethenyl]cyclohexene |
| MolecularFormula | C8H11Br |
| Smiles | Br/C=C\C1=CCCCC1 |
| InChI | InChI=1S/C8H11Br/c9-7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2 |
| InChIK | VMRCGRRGFUYOFC-UHFFFAOYSA-N |
| TotalMolweight | 187.079 |
| Molweight | 187.079 |
| MonoisotopicMass | 186.004411 |
| CLogP | 2.74 |
| CLogS | -2.805 |
| TotalSurfaceArea | 124.88 |
| Druglikeness | -8.593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| StereoCon |
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