propyl (2R)-2-(4-phenylphenoxy)propanoate
Formula:C18H20O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
propyl (2R)-2-(4-phenylphenoxy)propanoate is a drug-like molecule.
| MolName | propyl (2R)-2-(4-phenylphenoxy)propanoate |
| MolecularFormula | C18H20O3 |
| Smiles | CCCOC([C@@H](C)Oc(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C18H20O3/c1-3-13-20-18(19)14(2)21-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3/t14-/m1/s1 |
| InChIK | UUSBCXBWDLSLQZ-CQSZACIVSA-N |
| TotalMolweight | 284.354 |
| Molweight | 284.354 |
| MonoisotopicMass | 284.141245 |
| CLogP | 4.0267 |
| CLogS | -4.571 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.31 |
| Relative PSA | 0.14041 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | 0.010714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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