3,5-dibromo-2-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C13H9N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3,5-dibromo-2-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3,5-dibromo-2-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C13H9N3O2Br2 |
| Smiles | Oc(c(C(N/N=C\c1cnccc1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C13H9Br2N3O2/c14-9-4-10(12(19)11(15)5-9)13(20)18-17-7-8-2-1-3-16-6-8/h1-7,19H,(H,18,20) |
| InChIK | UBHXNASBVRPWBI-UHFFFAOYSA-N |
| TotalMolweight | 399.041 |
| Molweight | 399.041 |
| MonoisotopicMass | 396.906149 |
| CLogP | 3.3054 |
| CLogS | -4.298 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.36 |
| Relative PSA | 0.26195 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3,5-dibromo-2-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 3,5-dibromo-2-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
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