2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C19H18N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H18N3O4Br |
| Smiles | [O-][N+](c1cccc(/C=N\NC(COc(ccc2c3CCCC2)c3Br)=O)c1)=O |
| InChI | InChI=1S/C19H18BrN3O4/c20-19-16-7-2-1-5-14(16)8-9-17(19)27-12-18(24)22-21-11-13-4-3-6-15(10-13)23(25)26/h3-4,6,8-11H,1-2,5,7,12H2,(H,22,24) |
| InChIK | CZSNCUJEDOLPGI-UHFFFAOYSA-N |
| TotalMolweight | 432.273 |
| Molweight | 432.273 |
| MonoisotopicMass | 431.048068 |
| CLogP | 3.7369 |
| CLogS | -5.887 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.59 |
| Relative PSA | 0.25945 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -8.0692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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