N-[(Z)-furan-2-ylmethylideneamino]-2-(4-iodoanilino)acetamide
Formula:C13H12N3O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-(4-iodoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-(4-iodoanilino)acetamide |
| MolecularFormula | C13H12N3O2I |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H12IN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18) |
| InChIK | VAZRTUBUHWPSQA-UHFFFAOYSA-N |
| TotalMolweight | 369.157 |
| Molweight | 369.157 |
| MonoisotopicMass | 368.997425 |
| CLogP | 2.1193 |
| CLogS | -4.241 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.18 |
| Relative PSA | 0.26987 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 5.2443 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-iodoanilino)acetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-iodoanilino)acetamide
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