2-(4-iodophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H17N2O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-iodophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N2O3I |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17IN2O3/c22-17-9-11-18(12-10-17)26-15-21(25)24-23-14-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-14H,15H2,(H,24,25) |
| InChIK | PJJMLFZCWQBSCT-UHFFFAOYSA-N |
| TotalMolweight | 472.277 |
| Molweight | 472.277 |
| MonoisotopicMass | 472.028391 |
| CLogP | 4.6092 |
| CLogS | -6.814 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.79 |
| Relative PSA | 0.18257 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.6454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-iodophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(4-iodophenoxy)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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