6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinolin-2-amine
Formula:C20H13N3OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinolin-2-amine |
| MolecularFormula | C20H13N3OBrCl |
| Smiles | Clc1ccc(/C=N\Nc2cc(-c3ccccc3)c(cc(cc3)Br)c3n2)o1 |
| InChI | InChI=1S/C20H13BrClN3O/c21-14-6-8-18-17(10-14)16(13-4-2-1-3-5-13)11-20(24-18)25-23-12-15-7-9-19(22)26-15/h1-12H,(H,24,25) |
| InChIK | MKWCIIWYDTXTQS-UHFFFAOYSA-N |
| TotalMolweight | 426.7 |
| Molweight | 426.7 |
| MonoisotopicMass | 424.99305 |
| CLogP | 7.7848 |
| CLogS | -7.481 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.1 |
| Relative PSA | 0.16795 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 0.24716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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