2-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione
Formula:C20H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C20H12N4O5 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\N(C(c2c3cccc2)=O)C3=O)cc1)=O |
| InChI | InChI=1S/C20H12N4O5/c25-19-16-3-1-2-4-17(16)20(26)23(19)22-11-13-5-8-15(9-6-13)29-18-10-7-14(12-21-18)24(27)28/h1-12H |
| InChIK | RELYLRUNXQXQKX-UHFFFAOYSA-N |
| TotalMolweight | 388.338 |
| Molweight | 388.338 |
| MonoisotopicMass | 388.080771 |
| CLogP | 2.4762 |
| CLogS | -6.069 |
| H Acceptors | 9 |
| TotalSurfaceArea | 282.27 |
| Relative PSA | 0.32781 |
| PolarSurfaceArea | 117.68 |
| Druglikeness | -1.4954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione
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