2-[(E)-3-bromoprop-2-enyl]isoindole-1,3-dione
Formula:C11H8NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-bromoprop-2-enyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(E)-3-bromoprop-2-enyl]isoindole-1,3-dione |
| MolecularFormula | C11H8NO2Br |
| Smiles | O=C(c1c2cccc1)N(C/C=C/Br)C2=O |
| InChI | InChI=1S/C11H8BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-6H,7H2 |
| InChIK | BNDAHIRSHYHYRL-UHFFFAOYSA-N |
| TotalMolweight | 266.094 |
| Molweight | 266.094 |
| MonoisotopicMass | 264.97384 |
| CLogP | 1.9231 |
| CLogS | -2.684 |
| H Acceptors | 3 |
| TotalSurfaceArea | 164.45 |
| Relative PSA | 0.18018 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 1.1347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-3-bromoprop-2-enyl]isoindole-1,3-dione | 2 - 2-[(E)-3-bromoprop-2-enyl]isoindole-1,3-dione
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