N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
Formula:C13H11N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide |
| MolecularFormula | C13H11N4O3Br |
| Smiles | O=C(CN(C(C=C1)=O)NC1=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C13H11BrN4O3/c14-10-3-1-2-9(6-10)7-15-16-12(20)8-18-13(21)5-4-11(19)17-18/h1-7H,8H2,(H,16,20)(H,17,19) |
| InChIK | PGNKJVVXLHTGJZ-UHFFFAOYSA-N |
| TotalMolweight | 351.159 |
| Molweight | 351.159 |
| MonoisotopicMass | 350.001452 |
| CLogP | -0.3752 |
| CLogS | -3.024 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 229.88 |
| Relative PSA | 0.33539 |
| PolarSurfaceArea | 90.87 |
| Druglikeness | 3.0473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
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