(1Z)-3,3,4,4,5,5,5-heptafluoro-1-(phenylhydrazinylidene)pentan-2-one
Formula:C11H7N2OF7
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-3,3,4,4,5,5,5-heptafluoro-1-(phenylhydrazinylidene)pentan-2-one is a drug-like molecule.
| MolName | (1Z)-3,3,4,4,5,5,5-heptafluoro-1-(phenylhydrazinylidene)pentan-2-one |
| MolecularFormula | C11H7N2OF7 |
| Smiles | O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C11H7F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)6-19-20-7-4-2-1-3-5-7/h1-6,20H |
| InChIK | LIHNYSYMUCLIOW-UHFFFAOYSA-N |
| TotalMolweight | 316.176 |
| Molweight | 316.176 |
| MonoisotopicMass | 316.044659 |
| CLogP | 4.3899 |
| CLogS | -3.999 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 202.91 |
| Relative PSA | 0.17747 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -95.224 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (1Z)-3,3,4,4,5,5,5-heptafluoro-1-(phenylhydrazinylidene)pentan-2-one | 2 - (1Z)-3,3,4,4,5,5,5-heptafluoro-1-(phenylhydrazinylidene)pentan-2-one
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