2-[(Z)-(3-bromophenyl)methylideneamino]isoindole-1,3-dione
Formula:C15H9N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-bromophenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(3-bromophenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C15H9N2O2Br |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H9BrN2O2/c16-11-5-3-4-10(8-11)9-17-18-14(19)12-6-1-2-7-13(12)15(18)20/h1-9H |
| InChIK | IEQDVHZPSGHWBD-UHFFFAOYSA-N |
| TotalMolweight | 329.152 |
| Molweight | 329.152 |
| MonoisotopicMass | 327.984739 |
| CLogP | 3.3769 |
| CLogS | -4.416 |
| H Acceptors | 4 |
| TotalSurfaceArea | 208.71 |
| Relative PSA | 0.19712 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 2.0525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-(3-bromophenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(3-bromophenyl)methylideneamino]isoindole-1,3-dione
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