2-cyano-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C17H13N3O2I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C17H13N3O2I2 |
| Smiles | N#CCC(N/N=C\c(cc1I)cc(I)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C17H13I2N3O2/c18-14-8-13(10-21-22-16(23)6-7-20)9-15(19)17(14)24-11-12-4-2-1-3-5-12/h1-5,8-10H,6,11H2,(H,22,23) |
| InChIK | HIEPTXFPXWXAQT-UHFFFAOYSA-N |
| TotalMolweight | 545.109 |
| Molweight | 545.109 |
| MonoisotopicMass | 544.909723 |
| CLogP | 3.6801 |
| CLogS | -6.342 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.78 |
| Relative PSA | 0.19938 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -2.7767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
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