2,2,3,3,4,4,4-heptafluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide
Formula:C11H6N2OF8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,2,3,3,4,4,4-heptafluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 2,2,3,3,4,4,4-heptafluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide |
| MolecularFormula | C11H6N2OF8 |
| Smiles | O=C(C(C(C(F)(F)F)(F)F)(F)F)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C11H6F8N2O/c12-7-3-1-6(2-4-7)5-20-21-8(22)9(13,14)10(15,16)11(17,18)19/h1-5H,(H,21,22) |
| InChIK | IPIWVHFJIXVGLA-UHFFFAOYSA-N |
| TotalMolweight | 334.166 |
| Molweight | 334.166 |
| MonoisotopicMass | 334.035237 |
| CLogP | 3.7609 |
| CLogS | -5.041 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.26 |
| Relative PSA | 0.17208 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -81.918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2,2,3,3,4,4,4-heptafluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide | 2 - 2,2,3,3,4,4,4-heptafluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]butanamide
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