(2R)-2,3-diphenyloxirane
Formula:C14H12O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2R)-2,3-diphenyloxirane is a drug-like molecule.
| MolName | (2R)-2,3-diphenyloxirane |
| MolecularFormula | C14H12O |
| Smiles | c1ccc([C@H]2OC2c2ccccc2)cc1 |
| InChI | InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14?/m0/s1 |
| InChIK | ARCJQKUWGAZPFX-LSLKUGRBSA-N |
| TotalMolweight | 196.248 |
| Molweight | 196.248 |
| MonoisotopicMass | 196.088815 |
| CLogP | 2.8944 |
| CLogS | -2.639 |
| H Acceptors | 1 |
| TotalSurfaceArea | 162.17 |
| Relative PSA | 0.10884 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -0.69389 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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