3-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrazin-2-amine
Formula:C11H4N4ClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrazin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrazin-2-amine |
| MolecularFormula | C11H4N4ClF5 |
| Smiles | Fc(c(/C=N\Nc1nccnc1Cl)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C11H4ClF5N4/c12-10-11(19-2-1-18-10)21-20-3-4-5(13)7(15)9(17)8(16)6(4)14/h1-3H,(H,19,21) |
| InChIK | JWPAFFVTYAQKHR-UHFFFAOYSA-N |
| TotalMolweight | 322.624 |
| Molweight | 322.624 |
| MonoisotopicMass | 322.004463 |
| CLogP | 4.3979 |
| CLogS | -4.153 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.93 |
| Relative PSA | 0.20993 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrazin-2-amine | 2 - 3-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrazin-2-amine
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