2-iodo-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C14H10N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-iodo-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-iodo-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N3O3I |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cccc2)c2I)=O)cc1)=O |
| InChI | InChI=1S/C14H10IN3O3/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(8-6-10)18(20)21/h1-9H,(H,17,19) |
| InChIK | VCRBACODIRNBOB-UHFFFAOYSA-N |
| TotalMolweight | 395.151 |
| Molweight | 395.151 |
| MonoisotopicMass | 394.97669 |
| CLogP | 2.7171 |
| CLogS | -5.197 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.94 |
| Relative PSA | 0.28037 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.2995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-iodo-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide | 2 - 2-iodo-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
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