2-(3-chlorophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
Formula:C15H12N2O2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N2O2ClI |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C15H12ClIN2O2/c16-12-4-2-6-14(8-12)21-10-15(20)19-18-9-11-3-1-5-13(17)7-11/h1-9H,10H2,(H,19,20) |
| InChIK | GPAGJUYFFDGDLI-UHFFFAOYSA-N |
| TotalMolweight | 414.625 |
| Molweight | 414.625 |
| MonoisotopicMass | 413.963203 |
| CLogP | 3.8196 |
| CLogS | -5.253 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.45 |
| Relative PSA | 0.18225 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.6754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(3-chlorophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide | 2 - 2-(3-chlorophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]acetamide
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