(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]prop-2-enoate
Formula:C10H6O3BrF2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[5-bromo-2-(difluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C10H6O3BrF2 |
| Smiles | [O-]C(/C=C/c(cc(cc1)Br)c1OC(F)F)=O |
| InChI | InChI=1S/C10H7BrF2O3/c11-7-2-3-8(16-10(12)13)6(5-7)1-4-9(14)15/h1-5,10H,(H,14,15)/p-1 |
| InChIK | ZTDTZLBJFJSGHB-UHFFFAOYSA-M |
| TotalMolweight | 292.055 |
| Molweight | 292.055 |
| MonoisotopicMass | 290.946837 |
| CLogP | 0.2925 |
| CLogS | -3.455 |
| H Acceptors | 3 |
| TotalSurfaceArea | 178.87 |
| Relative PSA | 0.20864 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -5.0525 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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