4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
Formula:C14H8N2O2Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C14H8N2O2Br4 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N/NC(c(cc2)ccc2Br)=O)c1Br |
| InChI | InChI=1S/C14H8Br4N2O2/c15-8-3-1-7(2-4-8)14(22)20-19-6-9-10(16)5-11(17)13(21)12(9)18/h1-6,21H,(H,20,22) |
| InChIK | GUUBPDFTOQIVIN-UHFFFAOYSA-N |
| TotalMolweight | 555.846 |
| Molweight | 555.846 |
| MonoisotopicMass | 551.731922 |
| CLogP | 5.7567 |
| CLogS | -6.761 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 267.86 |
| Relative PSA | 0.18334 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide | 2 - 4-bromo-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
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