2-[4-(1-adamantyl)phenoxy]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C25H27N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(1-adamantyl)phenoxy]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C25H27N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)cc1)=O |
| InChI | InChI=1S/C25H27N3O4/c29-24(27-26-15-17-1-5-22(6-2-17)28(30)31)16-32-23-7-3-21(4-8-23)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-8,15,18-20H,9-14,16H2,(H,27,29) |
| InChIK | GJHINQUFMHRRGL-UHFFFAOYSA-N |
| TotalMolweight | 433.506 |
| Molweight | 433.506 |
| MonoisotopicMass | 433.200157 |
| CLogP | 3.9852 |
| CLogS | -6.669 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.39 |
| Relative PSA | 0.23561 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.66547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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