(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-enoic acid
Formula:C9H3O2F13
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-enoic acid is a drug-like molecule.
| MolName | (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-enoic acid |
| MolecularFormula | C9H3O2F13 |
| Smiles | OC(/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O |
| InChI | InChI=1S/C9H3F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H,(H,23,24) |
| InChIK | PYWWUCKTKBAQOL-UHFFFAOYSA-N |
| TotalMolweight | 390.095 |
| Molweight | 390.095 |
| MonoisotopicMass | 389.992544 |
| CLogP | 4.3868 |
| CLogS | -5.101 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 209.11 |
| Relative PSA | 0.12501 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -101.38 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-enoic acid | 2 - (E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-enoic acid
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