3-fluoro-N-[2-[(2Z)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H11N3O3FI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-fluoro-N-[2-[(2Z)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3-fluoro-N-[2-[(2Z)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H11N3O3FI |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C14H11FIN3O3/c15-10-3-1-2-9(6-10)14(21)17-8-13(20)19-18-7-11-4-5-12(16)22-11/h1-7H,8H2,(H,17,21)(H,19,20) |
| InChIK | YCWFJSTXBKLKBE-UHFFFAOYSA-N |
| TotalMolweight | 415.157 |
| Molweight | 415.157 |
| MonoisotopicMass | 414.982918 |
| CLogP | 2.1093 |
| CLogS | -4.263 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.28 |
| Relative PSA | 0.29578 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 6.3455 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3-fluoro-N-[2-[(2Z)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3-fluoro-N-[2-[(2Z)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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