2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
Formula:C15H11N2O2Cl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N2O2Cl2I |
| Smiles | O=C(COc(ccc(Cl)c1)c1I)N/N=C\c1cc(Cl)ccc1 |
| InChI | InChI=1S/C15H11Cl2IN2O2/c16-11-3-1-2-10(6-11)8-19-20-15(21)9-22-14-5-4-12(17)7-13(14)18/h1-8H,9H2,(H,20,21) |
| InChIK | UPKWEIVAVWKFPP-UHFFFAOYSA-N |
| TotalMolweight | 449.07 |
| Molweight | 449.07 |
| MonoisotopicMass | 447.92423 |
| CLogP | 4.4256 |
| CLogS | -5.989 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.87 |
| Relative PSA | 0.17176 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.6754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide | 2 - 2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
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