N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H9N3O2Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H9N3O2Br2 |
| Smiles | Oc(cc(/C=N\NC(c1ccncc1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C13H9Br2N3O2/c14-10-6-11(15)12(19)5-9(10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20) |
| InChIK | OUYLSUAEFYPSDY-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 | high |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off