N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-3-hydroxy-4-iodobenzamide
Formula:C21H15N2O3I3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-3-hydroxy-4-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-3-hydroxy-4-iodobenzamide |
| MolecularFormula | C21H15N2O3I3 |
| Smiles | Oc(cc(cc1)C(N/N=C\c(cc2I)cc(I)c2OCc2ccccc2)=O)c1I |
| InChI | InChI=1S/C21H15I3N2O3/c22-16-7-6-15(10-19(16)27)21(28)26-25-11-14-8-17(23)20(18(24)9-14)29-12-13-4-2-1-3-5-13/h1-11,27H,12H2,(H,26,28) |
| InChIK | TUOVPINRMXAGLH-UHFFFAOYSA-N |
| TotalMolweight | 724.061 |
| Molweight | 724.061 |
| MonoisotopicMass | 723.821687 |
| CLogP | 5.5153 |
| CLogS | -7.814 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 355.7 |
| Relative PSA | 0.16618 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.4602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-3-hydroxy-4-iodobenzamide | 2 - N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-3-hydroxy-4-iodobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off