2-(4-chlorophenoxy)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide
Formula:C13H10N2O3ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H10N2O3ClI |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C13H10ClIN2O3/c14-9-1-3-10(4-2-9)19-8-13(18)17-16-7-11-5-6-12(15)20-11/h1-7H,8H2,(H,17,18) |
| InChIK | GBKMAWWFKYGROT-UHFFFAOYSA-N |
| TotalMolweight | 404.586 |
| Molweight | 404.586 |
| MonoisotopicMass | 403.942468 |
| CLogP | 3.1057 |
| CLogS | -4.698 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.14 |
| Relative PSA | 0.24829 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 6.8187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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