2-[(Z)-2,3-dibromoprop-2-enoxy]ethanol
Formula:C5H8O2Br2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
2-[(Z)-2,3-dibromoprop-2-enoxy]ethanol is a drug-like molecule.
| MolName | 2-[(Z)-2,3-dibromoprop-2-enoxy]ethanol |
| MolecularFormula | C5H8O2Br2 |
| Smiles | OCCOC/C(/Br)=C/Br |
| InChI | InChI=1S/C5H8Br2O2/c6-3-5(7)4-9-2-1-8/h3,8H,1-2,4H2 |
| InChIK | QTIGNOVUWUQIHQ-UHFFFAOYSA-N |
| TotalMolweight | 259.925 |
| Molweight | 259.925 |
| MonoisotopicMass | 257.889102 |
| CLogP | 1.0738 |
| CLogS | -1.99 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 133.1 |
| Relative PSA | 0.17355 |
| PolarSurfaceArea | 29.46 |
| Druglikeness | -10.652 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 2-[(Z)-2,3-dibromoprop-2-enoxy]ethanol | 2 - 2-[(Z)-2,3-dibromoprop-2-enoxy]ethanol
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