butyl (2R)-2-(4-phenylphenoxy)propanoate
Formula:C19H22O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
butyl (2R)-2-(4-phenylphenoxy)propanoate is a drug-like molecule.
| MolName | butyl (2R)-2-(4-phenylphenoxy)propanoate |
| MolecularFormula | C19H22O3 |
| Smiles | CCCCOC([C@@H](C)Oc(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C19H22O3/c1-3-4-14-21-19(20)15(2)22-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3/t15-/m1/s1 |
| InChIK | OYRFTAGKYMRTKR-OAHLLOKOSA-N |
| TotalMolweight | 298.381 |
| Molweight | 298.381 |
| MonoisotopicMass | 298.156895 |
| CLogP | 4.4811 |
| CLogS | -4.841 |
| H Acceptors | 3 |
| TotalSurfaceArea | 249.07 |
| Relative PSA | 0.13265 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -4.7358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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