2-dodec-11-enyloxirane
Formula:C14H26O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-dodec-11-enyloxirane is a drug-like molecule.
| MolName | 2-dodec-11-enyloxirane |
| MolecularFormula | C14H26O |
| Smiles | C=CCCCCCCCCCCC1OC1 |
| InChI | InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h2,14H,1,3-13H2/t14-/m1/s1 |
| InChIK | GPOAUVOYIHAVKA-CQSZACIVSA-N |
| TotalMolweight | 210.359 |
| Molweight | 210.359 |
| MonoisotopicMass | 210.198365 |
| CLogP | 4.9996 |
| CLogS | -3.738 |
| H Acceptors | 1 |
| TotalSurfaceArea | 206.05 |
| Relative PSA | 0.085659 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -16.438 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.93333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 11 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 13 |
| StereoCon | racemate |
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