N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C15H9N2O4Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H9N2O4Br3 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(c(cc2)cc3c2OCO3)=O)c1Br |
| InChI | InChI=1S/C15H9Br3N2O4/c16-9-4-10(17)14(21)13(18)8(9)5-19-20-15(22)7-1-2-11-12(3-7)24-6-23-11/h1-5,21H,6H2,(H,20,22) |
| InChIK | WUIHFQYOXWUERS-UHFFFAOYSA-N |
| TotalMolweight | 520.958 |
| Molweight | 520.958 |
| MonoisotopicMass | 517.811241 |
| CLogP | 5.1429 |
| CLogS | -6.638 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 269.49 |
| Relative PSA | 0.25645 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
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