N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Formula:C12H8N4O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide |
| MolecularFormula | C12H8N4O2BrF |
| Smiles | O=C(C(C=C1)=NNC1=O)N/N=C/c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C12H8BrFN4O2/c13-8-1-2-9(14)7(5-8)6-15-18-12(20)10-3-4-11(19)17-16-10/h1-6H,(H,17,19)(H,18,20) |
| InChIK | FLRDJWPVFFIABY-UHFFFAOYSA-N |
| TotalMolweight | 339.124 |
| Molweight | 339.124 |
| MonoisotopicMass | 337.981465 |
| CLogP | 1.5218 |
| CLogS | -4.09 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 217.39 |
| Relative PSA | 0.33129 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 1.3177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide | 2 - N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off