N-[(Z)-furan-2-ylmethylideneamino]-3-iodobenzamide
Formula:C12H9N2O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3-iodobenzamide |
| MolecularFormula | C12H9N2O2I |
| Smiles | O=C(c1cccc(I)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C12H9IN2O2/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16) |
| InChIK | FYCUUFPOEFLNJC-UHFFFAOYSA-N |
| TotalMolweight | 340.115 |
| Molweight | 340.115 |
| MonoisotopicMass | 339.970876 |
| CLogP | 2.8274 |
| CLogS | -4.419 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.96 |
| Relative PSA | 0.24695 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.5817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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