N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]phthalazin-1-amine
Formula:C13H8N4OBr2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C13H8N4OBr2 |
| Smiles | Brc(cc(/C=N\Nc1nncc2ccccc12)o1)c1Br |
| InChI | InChI=1S/C13H8Br2N4O/c14-11-5-9(20-12(11)15)7-17-19-13-10-4-2-1-3-8(10)6-16-18-13/h1-7H,(H,18,19) |
| InChIK | VWJIDDSRRLPYAW-UHFFFAOYSA-N |
| TotalMolweight | 396.042 |
| Molweight | 396.042 |
| MonoisotopicMass | 393.906483 |
| CLogP | 5.2934 |
| CLogS | -5.147 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.31 |
| Relative PSA | 0.25851 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | -3.1675 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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