(E)-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid
Formula:C6H3O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid |
| MolecularFormula | C6H3O2F7 |
| Smiles | OC(/C=C/C(C(C(F)(F)F)(F)F)(F)F)=O |
| InChI | InChI=1S/C6H3F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H,14,15) |
| InChIK | KRBNWYYINLFKND-UHFFFAOYSA-N |
| TotalMolweight | 240.074 |
| Molweight | 240.074 |
| MonoisotopicMass | 240.002126 |
| CLogP | 2.2598 |
| CLogS | -2.947 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 139.78 |
| Relative PSA | 0.18701 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -65.84 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid | 2 - (E)-4,4,5,5,6,6,6-heptafluorohex-2-enoic acid
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