3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazin-2-amine
Formula:C11H8N4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazin-2-amine |
| MolecularFormula | C11H8N4ClF |
| Smiles | Fc1ccc(/C=N\Nc2nccnc2Cl)cc1 |
| InChI | InChI=1S/C11H8ClFN4/c12-10-11(15-6-5-14-10)17-16-7-8-1-3-9(13)4-2-8/h1-7H,(H,15,17) |
| InChIK | FRCBCJBNYANDPA-UHFFFAOYSA-N |
| TotalMolweight | 250.664 |
| Molweight | 250.664 |
| MonoisotopicMass | 250.042151 |
| CLogP | 3.9947 |
| CLogS | -2.897 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.53 |
| Relative PSA | 0.23821 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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