N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide
Formula:C5H4NOBr2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide |
| MolecularFormula | C5H4NOBr2F3 |
| Smiles | O=C(C(F)(F)F)NC/C(/Br)=C\Br |
| InChI | InChI=1S/C5H4Br2F3NO/c6-1-3(7)2-11-4(12)5(8,9)10/h1H,2H2,(H,11,12) |
| InChIK | OBZDEZAJKKMVRW-UHFFFAOYSA-N |
| TotalMolweight | 310.895 |
| Molweight | 310.895 |
| MonoisotopicMass | 308.86117 |
| CLogP | 1.661 |
| CLogS | -3.083 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 147.9 |
| Relative PSA | 0.16565 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -31.269 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide | 2 - N-[(E)-2,3-dibromoprop-2-enyl]-2,2,2-trifluoroacetamide
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