3-benzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine
Formula:C22H17N4F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine is not a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine |
| MolecularFormula | C22H17N4F |
| Smiles | Fc1ccc(/C=N\Nc2nc3ccccc3nc2Cc2ccccc2)cc1 |
| InChI | InChI=1S/C22H17FN4/c23-18-12-10-17(11-13-18)15-24-27-22-21(14-16-6-2-1-3-7-16)25-19-8-4-5-9-20(19)26-22/h1-13,15H,14H2,(H,26,27) |
| InChIK | SJMKNRNWFDKAML-UHFFFAOYSA-N |
| TotalMolweight | 356.403 |
| Molweight | 356.403 |
| MonoisotopicMass | 356.143724 |
| CLogP | 6.6006 |
| CLogS | -5.529 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.23 |
| Relative PSA | 0.15969 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.83348 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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