2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane
Formula:C19H5OF33
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane is not a drug-like molecule.
| MolName | 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane |
| MolecularFormula | C19H5OF33 |
| Smiles | FC(CC1OC1)(C(C(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)F)(F)F)F |
| InChI | InChI=1S/C19H5F33O/c20-4(21,1-3-2-53-3)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52/h3H,1-2H2/t3-/m0/s1 |
| InChIK | RKMNPJDKZVNTFV-VKHMYHEASA-N |
| TotalMolweight | 876.182 |
| Molweight | 876.182 |
| MonoisotopicMass | 875.981339 |
| CLogP | 11.76 |
| CLogS | -12.609 |
| H Acceptors | 1 |
| TotalSurfaceArea | 433.78 |
| Relative PSA | 0.040689 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -112.82 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.37736 |
| Fragments | 1 |
| Non HAtoms | 53 |
| NonCHAtoms | 34 |
| Electronegative Atoms | 34 |
| StereoCenters | 1 |
| Rotatable Bond | 17 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 20 |
| Symmetricatoms | 17 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane | 2 - 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane
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