2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C19H14N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N3O3Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc(c2ccccc22)ccc2Br)=O)cc1)=O |
| InChI | InChI=1S/C19H14BrN3O3/c20-18-10-7-14(16-3-1-2-4-17(16)18)11-19(24)22-21-12-13-5-8-15(9-6-13)23(25)26/h1-10,12H,11H2,(H,22,24) |
| InChIK | HCEQOOGZBZOKBM-UHFFFAOYSA-N |
| TotalMolweight | 412.242 |
| Molweight | 412.242 |
| MonoisotopicMass | 411.021853 |
| CLogP | 4.1977 |
| CLogS | -6.586 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.65 |
| Relative PSA | 0.23926 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.5841 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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