2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane
Formula:C15H5OF25
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane is not a drug-like molecule.
| MolName | 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane |
| MolecularFormula | C15H5OF25 |
| Smiles | FC(CC1OC1)(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 |
| InChI | InChI=1S/C15H5F25O/c16-4(17,1-3-2-41-3)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40/h3H,1-2H2/t3-/m0/s1 |
| InChIK | QAXVXGRPJJMLJF-VKHMYHEASA-N |
| TotalMolweight | 676.154 |
| Molweight | 676.154 |
| MonoisotopicMass | 675.994115 |
| CLogP | 8.9244 |
| CLogS | -9.737 |
| H Acceptors | 1 |
| TotalSurfaceArea | 341.34 |
| Relative PSA | 0.051708 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -112.82 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.39024 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 26 |
| Electronegative Atoms | 26 |
| StereoCenters | 1 |
| Rotatable Bond | 13 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 16 |
| Symmetricatoms | 13 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane | 2 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane
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