N-[(E)-2,3-dibromoprop-2-enyl]benzamide
Formula:C10H9NOBr2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(E)-2,3-dibromoprop-2-enyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dibromoprop-2-enyl]benzamide |
| MolecularFormula | C10H9NOBr2 |
| Smiles | O=C(c1ccccc1)NC/C(/Br)=C\Br |
| InChI | InChI=1S/C10H9Br2NO/c11-6-9(12)7-13-10(14)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14) |
| InChIK | OUEYWORIBUUWFK-UHFFFAOYSA-N |
| TotalMolweight | 318.995 |
| Molweight | 318.995 |
| MonoisotopicMass | 316.905086 |
| CLogP | 2.6205 |
| CLogS | -3.513 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 178.2 |
| Relative PSA | 0.13749 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -3.8789 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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