N-[(E)-(3-iodophenyl)methylideneamino]-4-nitrobenzamide
Formula:C14H10N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-iodophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-(3-iodophenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H10N3O3I |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c1cccc(I)c1)=O)=O |
| InChI | InChI=1S/C14H10IN3O3/c15-12-3-1-2-10(8-12)9-16-17-14(19)11-4-6-13(7-5-11)18(20)21/h1-9H,(H,17,19) |
| InChIK | MEQKXYLXWINIKX-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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