2-hydroxy-2,2-diphenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C21H15N2O3Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-hydroxy-2,2-diphenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-hydroxy-2,2-diphenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H15N2O3Br3 |
| Smiles | OC(C(N/N=C\c(c(Br)c(c(Br)c1)O)c1Br)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H15Br3N2O3/c22-16-11-17(23)19(27)18(24)15(16)12-25-26-20(28)21(29,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,27,29H,(H,26,28) |
| InChIK | ZUWSOZJABKWYCU-UHFFFAOYSA-N |
| TotalMolweight | 583.073 |
| Molweight | 583.073 |
| MonoisotopicMass | 579.863276 |
| CLogP | 5.3118 |
| CLogS | -6.633 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 325.75 |
| Relative PSA | 0.19097 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 3.6483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 2-hydroxy-2,2-diphenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-hydroxy-2,2-diphenyl-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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