N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-iodobenzamide
Formula:C14H9N2OCl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-iodobenzamide |
| MolecularFormula | C14H9N2OCl2I |
| Smiles | O=C(c1cccc(I)c1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C14H9Cl2IN2O/c15-12-5-2-6-13(16)11(12)8-18-19-14(20)9-3-1-4-10(17)7-9/h1-8H,(H,19,20) |
| InChIK | IUALLCJBTKYMFW-UHFFFAOYSA-N |
| TotalMolweight | 419.044 |
| Molweight | 419.044 |
| MonoisotopicMass | 417.913665 |
| CLogP | 4.8507 |
| CLogS | -6.209 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.11 |
| Relative PSA | 0.14752 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| StereoCon |
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