2-[(4-cyclohexylphenoxy)methyl]oxirane
Formula:C15H20O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(4-cyclohexylphenoxy)methyl]oxirane is a drug-like molecule.
| MolName | 2-[(4-cyclohexylphenoxy)methyl]oxirane |
| MolecularFormula | C15H20O2 |
| Smiles | C(C1OC1)Oc1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C15H20O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h6-9,12,15H,1-5,10-11H2/t15-/m1/s1 |
| InChIK | PWOUMDUXOSIEIV-OAHLLOKOSA-N |
| TotalMolweight | 232.322 |
| Molweight | 232.322 |
| MonoisotopicMass | 232.14633 |
| CLogP | 3.3422 |
| CLogS | -3.546 |
| H Acceptors | 2 |
| TotalSurfaceArea | 195.23 |
| Relative PSA | 0.14163 |
| PolarSurfaceArea | 21.76 |
| Druglikeness | -11.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-[(4-cyclohexylphenoxy)methyl]oxirane | 2 - 2-[(4-cyclohexylphenoxy)methyl]oxirane
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