N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinolin-8-amine
Formula:C14H9N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinolin-8-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinolin-8-amine |
| MolecularFormula | C14H9N3OBr2 |
| Smiles | Brc(cc(/C=N\Nc1cccc2cccnc12)o1)c1Br |
| InChI | InChI=1S/C14H9Br2N3O/c15-11-7-10(20-14(11)16)8-18-19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8,19H |
| InChIK | KISRDYOQLDDCKA-UHFFFAOYSA-N |
| TotalMolweight | 395.053 |
| Molweight | 395.053 |
| MonoisotopicMass | 392.911234 |
| CLogP | 5.8934 |
| CLogS | -4.968 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.55 |
| Relative PSA | 0.20932 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | -3.1675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinolin-8-amine | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]quinolin-8-amine
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