2-[(Z)-2,3-dichloroprop-2-enyl]isoindole-1,3-dione
Formula:C11H7NO2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2-[(Z)-2,3-dichloroprop-2-enyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-2,3-dichloroprop-2-enyl]isoindole-1,3-dione |
| MolecularFormula | C11H7NO2Cl2 |
| Smiles | O=C(c1c2cccc1)N(C/C(/Cl)=C/Cl)C2=O |
| InChI | InChI=1S/C11H7Cl2NO2/c12-5-7(13)6-14-10(15)8-3-1-2-4-9(8)11(14)16/h1-5H,6H2 |
| InChIK | COGROFWVWFPRPV-UHFFFAOYSA-N |
| TotalMolweight | 256.088 |
| Molweight | 256.088 |
| MonoisotopicMass | 254.985383 |
| CLogP | 2.2537 |
| CLogS | -3.233 |
| H Acceptors | 3 |
| TotalSurfaceArea | 174.87 |
| Relative PSA | 0.16944 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 3.0265 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-[(Z)-2,3-dichloroprop-2-enyl]isoindole-1,3-dione | 2 - 2-[(Z)-2,3-dichloroprop-2-enyl]isoindole-1,3-dione
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