2-(6-bromonaphthalen-2-yl)oxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C19H14N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(6-bromonaphthalen-2-yl)oxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(6-bromonaphthalen-2-yl)oxy-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N3O4Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc2ccc(cc(cc3)Br)c3c2)=O)cc1)=O |
| InChI | InChI=1S/C19H14BrN3O4/c20-16-5-3-15-10-18(8-4-14(15)9-16)27-12-19(24)22-21-11-13-1-6-17(7-2-13)23(25)26/h1-11H,12H2,(H,22,24) |
| InChIK | ZPXAKUNHZUGSCJ-UHFFFAOYSA-N |
| TotalMolweight | 428.241 |
| Molweight | 428.241 |
| MonoisotopicMass | 427.016768 |
| CLogP | 3.7745 |
| CLogS | -6.401 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 287.65 |
| Relative PSA | 0.2657 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.7224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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