2-[(2E)-3-chloro-2-hydroxyiminopropyl]isoindole-1,3-dione
Formula:C11H9N2O3Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-[(2E)-3-chloro-2-hydroxyiminopropyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(2E)-3-chloro-2-hydroxyiminopropyl]isoindole-1,3-dione |
| MolecularFormula | C11H9N2O3Cl |
| Smiles | O/N=C(\CN(C(c1c2cccc1)=O)C2=O)/CCl |
| InChI | InChI=1S/C11H9ClN2O3/c12-5-7(13-17)6-14-10(15)8-3-1-2-4-9(8)11(14)16/h1-4,17H,5-6H2 |
| InChIK | RTLHSJHZHHCQKG-UHFFFAOYSA-N |
| TotalMolweight | 252.656 |
| Molweight | 252.656 |
| MonoisotopicMass | 252.03017 |
| CLogP | 1.652 |
| CLogS | -2.623 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 177.82 |
| Relative PSA | 0.30503 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | 3.1552 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2E)-3-chloro-2-hydroxyiminopropyl]isoindole-1,3-dione | 2 - 2-[(2E)-3-chloro-2-hydroxyiminopropyl]isoindole-1,3-dione
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