N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Formula:C16H12N3O2Cl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide |
| MolecularFormula | C16H12N3O2Cl2I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H12Cl2IN3O2/c17-12-5-3-6-13(18)11(12)8-21-22-15(23)9-20-16(24)10-4-1-2-7-14(10)19/h1-8H,9H2,(H,20,24)(H,22,23) |
| InChIK | DPJWLGXXFUQARU-UHFFFAOYSA-N |
| TotalMolweight | 476.096 |
| Molweight | 476.096 |
| MonoisotopicMass | 474.935129 |
| CLogP | 3.9344 |
| CLogS | -5.976 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 287.08 |
| Relative PSA | 0.21078 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.7649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide | 2 - N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
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