(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
Formula:C5HO2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate is a drug-like molecule.
| MolName | (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate |
| MolecularFormula | C5HO2F6 |
| Smiles | [O-]/C(/C(F)(F)F)=C\C(C(F)(F)F)=O |
| InChI | InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H/p-1 |
| InChIK | ZUSKFDORJCVUSD-UHFFFAOYSA-M |
| TotalMolweight | 207.049 |
| Molweight | 207.049 |
| MonoisotopicMass | 206.988073 |
| CLogP | -0.2389 |
| CLogS | -2.629 |
| H Acceptors | 2 |
| TotalSurfaceArea | 122.41 |
| Relative PSA | 0.22318 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -32.982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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