3-chloro-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H15N2O2ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N2O2ClI2 |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C\c(cc1I)cc(I)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H15ClI2N2O2/c22-17-8-4-7-16(11-17)21(27)26-25-12-15-9-18(23)20(19(24)10-15)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27) |
| InChIK | SXRJHNUATARQEW-UHFFFAOYSA-N |
| TotalMolweight | 616.615 |
| Molweight | 616.615 |
| MonoisotopicMass | 615.891151 |
| CLogP | 6.0299 |
| CLogS | -7.83 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.49 |
| Relative PSA | 0.13593 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.5056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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