N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide
Formula:C13H11N2O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C13H11N2O2I |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C13H11IN2O2/c14-12-7-6-11(18-12)9-15-16-13(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17) |
| InChIK | APQSELUFHZNMJO-UHFFFAOYSA-N |
| TotalMolweight | 354.142 |
| Molweight | 354.142 |
| MonoisotopicMass | 353.986526 |
| CLogP | 2.9229 |
| CLogS | -4.147 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.72 |
| Relative PSA | 0.23127 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.8389 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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