2-[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethyl]isoindole-1,3-dione
Formula:C17H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethyl]isoindole-1,3-dione |
| MolecularFormula | C17H13N3O5 |
| Smiles | [O-][N+](c1cc(/C=N\OCCN(C(c2c3cccc2)=O)C3=O)ccc1)=O |
| InChI | InChI=1S/C17H13N3O5/c21-16-14-6-1-2-7-15(14)17(22)19(16)8-9-25-18-11-12-4-3-5-13(10-12)20(23)24/h1-7,10-11H,8-9H2 |
| InChIK | IOBBIARDNYAXIQ-UHFFFAOYSA-N |
| TotalMolweight | 339.306 |
| Molweight | 339.306 |
| MonoisotopicMass | 339.085522 |
| CLogP | 2.325 |
| CLogS | -4.02 |
| H Acceptors | 8 |
| TotalSurfaceArea | 251.27 |
| Relative PSA | 0.32459 |
| PolarSurfaceArea | 104.79 |
| Druglikeness | -1.1307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethyl]isoindole-1,3-dione | 2 - 2-[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethyl]isoindole-1,3-dione
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