2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane
Formula:C16H5OF27
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane is not a drug-like molecule.
| MolName | 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane |
| MolecularFormula | C16H5OF27 |
| Smiles | FC(CC1OC1)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F |
| InChI | InChI=1S/C16H5F27O/c17-4(18,1-3-2-44-3)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43/h3H,1-2H2/t3-/m0/s1 |
| InChIK | DIDOQTSWDGCVSY-VKHMYHEASA-N |
| TotalMolweight | 726.161 |
| Molweight | 726.161 |
| MonoisotopicMass | 725.990921 |
| CLogP | 9.214 |
| CLogS | -10.321 |
| H Acceptors | 1 |
| TotalSurfaceArea | 364.45 |
| Relative PSA | 0.048429 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -85.24 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.36364 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 28 |
| Electronegative Atoms | 28 |
| StereoCenters | 1 |
| Rotatable Bond | 14 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 17 |
| Symmetricatoms | 16 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane | 2 - 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane
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