N-[(E)-benzylideneamino]-2-iodobenzamide
Formula:C14H11N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-benzylideneamino]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[(E)-benzylideneamino]-2-iodobenzamide |
| MolecularFormula | C14H11N2OI |
| Smiles | O=C(c(cccc1)c1I)N/N=C/c1ccccc1 |
| InChI | InChI=1S/C14H11IN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18) |
| InChIK | IVDDXACWJWQJMV-UHFFFAOYSA-N |
| TotalMolweight | 350.154 |
| Molweight | 350.154 |
| MonoisotopicMass | 349.991611 |
| CLogP | 3.6387 |
| CLogS | -4.737 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.27 |
| Relative PSA | 0.16885 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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