3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine
Formula:C15H10N4ClF
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoxalin-2-amine |
| MolecularFormula | C15H10N4ClF |
| Smiles | Fc1ccc(/C=N\Nc2nc3ccccc3nc2Cl)cc1 |
| InChI | InChI=1S/C15H10ClFN4/c16-14-15(20-13-4-2-1-3-12(13)19-14)21-18-9-10-5-7-11(17)8-6-10/h1-9H,(H,20,21) |
| InChIK | HVQMTRXPNMEKPJ-UHFFFAOYSA-N |
| TotalMolweight | 300.723 |
| Molweight | 300.723 |
| MonoisotopicMass | 300.057801 |
| CLogP | 5.4341 |
| CLogS | -4.293 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.13 |
| Relative PSA | 0.20127 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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