N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H9N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H9N3O2Br2 |
| Smiles | Oc(cc(/C=N\NC(c1ncccc1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C13H9Br2N3O2/c14-9-6-10(15)12(19)5-8(9)7-17-18-13(20)11-3-1-2-4-16-11/h1-7,19H,(H,18,20) |
| InChIK | DBXPOHAOZPUDDV-UHFFFAOYSA-N |
| TotalMolweight | 399.041 |
| Molweight | 399.041 |
| MonoisotopicMass | 396.906149 |
| CLogP | 3.3594 |
| CLogS | -4.322 |
| 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 | 0.65 |
| 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 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
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