2-[4-[(Z)-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
Formula:C15H13N3O4Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[4-[(Z)-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C15H13N3O4Cl2S |
| Smiles | NC(COc1ccc(/C=N\NS(c(cc(cc2)Cl)c2Cl)(=O)=O)cc1)=O |
| InChI | InChI=1S/C15H13Cl2N3O4S/c16-11-3-6-13(17)14(7-11)25(22,23)20-19-8-10-1-4-12(5-2-10)24-9-15(18)21/h1-8,20H,9H2,(H2,18,21) |
| InChIK | QGADHUHFQKIWBP-UHFFFAOYSA-N |
| TotalMolweight | 402.257 |
| Molweight | 402.257 |
| MonoisotopicMass | 401.000381 |
| CLogP | 2.1513 |
| CLogS | -3.257 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 278.69 |
| Relative PSA | 0.32244 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | 3.8912 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[(2,5-dichlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
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