2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitro-2-phenylsulfanylphenyl)methylideneamino]acetamide
Formula:C21H15N3O4Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitro-2-phenylsulfanylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitro-2-phenylsulfanylphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H15N3O4Cl2S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)c1Sc1ccccc1)=O |
| InChI | InChI=1S/C21H15Cl2N3O4S/c22-15-6-8-19(18(23)11-15)30-13-21(27)25-24-12-14-10-16(26(28)29)7-9-20(14)31-17-4-2-1-3-5-17/h1-12H,13H2,(H,25,27) |
| InChIK | KJZFNCCVWLCDHI-UHFFFAOYSA-N |
| TotalMolweight | 476.339 |
| Molweight | 476.339 |
| MonoisotopicMass | 475.016031 |
| CLogP | 4.888 |
| CLogS | -7.219 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 342.51 |
| Relative PSA | 0.27421 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -0.60006 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitro-2-phenylsulfanylphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(5-nitro-2-phenylsulfanylphenyl)methylideneamino]acetamide
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