2-[(Z)-(3-nitrophenyl)methylideneamino]isoindole-1,3-dione
Formula:C15H9N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitrophenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitrophenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C15H9N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\N(C(c2c3cccc2)=O)C3=O)ccc1)=O |
| InChI | InChI=1S/C15H9N3O4/c19-14-12-6-1-2-7-13(12)15(20)17(14)16-9-10-4-3-5-11(8-10)18(21)22/h1-9H |
| InChIK | YXMJSBAGQUNTAA-UHFFFAOYSA-N |
| TotalMolweight | 295.253 |
| Molweight | 295.253 |
| MonoisotopicMass | 295.059307 |
| CLogP | 1.7301 |
| CLogS | -4.042 |
| H Acceptors | 7 |
| TotalSurfaceArea | 213.75 |
| Relative PSA | 0.33478 |
| PolarSurfaceArea | 95.56 |
| Druglikeness | -1.3922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(3-nitrophenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(3-nitrophenyl)methylideneamino]isoindole-1,3-dione
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