2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane
Formula:C17H5OF29
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane is not a drug-like molecule.
| MolName | 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane |
| MolecularFormula | C17H5OF29 |
| Smiles | FC(CC1OC1)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(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/C17H5F29O/c18-4(19,1-3-2-47-3)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46/h3H,1-2H2/t3-/m0/s1 |
| InChIK | WCTXFFMYNHVNSS-VKHMYHEASA-N |
| TotalMolweight | 776.168 |
| Molweight | 776.168 |
| MonoisotopicMass | 775.987727 |
| CLogP | 10.342 |
| CLogS | -11.173 |
| H Acceptors | 1 |
| TotalSurfaceArea | 387.56 |
| Relative PSA | 0.045541 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -112.82 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.38298 |
| Fragments | 1 |
| Non HAtoms | 47 |
| NonCHAtoms | 30 |
| Electronegative Atoms | 30 |
| StereoCenters | 1 |
| Rotatable Bond | 15 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 18 |
| Symmetricatoms | 15 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane | 2 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane
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