2-(2,3-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H11N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(2,3-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,3-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N3O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc2cccc(Cl)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C15H11Cl2N3O4/c16-12-2-1-3-13(15(12)17)24-9-14(21)19-18-8-10-4-6-11(7-5-10)20(22)23/h1-8H,9H2,(H,19,21) |
| InChIK | FKJYGHUQSOXWPM-UHFFFAOYSA-N |
| TotalMolweight | 368.175 |
| Molweight | 368.175 |
| MonoisotopicMass | 367.012661 |
| CLogP | 3.0669 |
| CLogS | -5.433 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 265.26 |
| Relative PSA | 0.28813 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2,3-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2,3-dichlorophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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