2-(4-iodoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H18N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-iodoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H18N3O2I |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H18IN3O2/c22-17-9-11-18(12-10-17)23-15-21(26)25-24-14-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-14,23H,15H2,(H,25,26) |
| InChIK | GHPKJANWIVEBBC-UHFFFAOYSA-N |
| TotalMolweight | 471.293 |
| Molweight | 471.293 |
| MonoisotopicMass | 471.044375 |
| CLogP | 4.3262 |
| CLogS | -6.856 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 308.25 |
| Relative PSA | 0.18644 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 5.3434 |
| 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 | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(4-iodoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(4-iodoanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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