N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
Formula:C15H9N3O2Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C15H9N3O2Br2 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C15H9Br2N3O2/c16-11-7-10(22-14(11)17)8-18-20-15(21)13-6-5-9-3-1-2-4-12(9)19-13/h1-8H,(H,20,21) |
| InChIK | BCPFAMAALQJUFN-UHFFFAOYSA-N |
| TotalMolweight | 423.063 |
| Molweight | 423.063 |
| MonoisotopicMass | 420.906149 |
| CLogP | 4.3081 |
| CLogS | -5.564 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.3 |
| Relative PSA | 0.24703 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.90666 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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