| MolName | 2-(4-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]acetamide |
| MolecularFormula | C16H16NO3Cl |
| Smiles | C[C@@H](c1cccc(NC(COc(cc2)ccc2Cl)=O)c1)O |
| InChI | InChI=1S/C16H16ClNO3/c1-11(19)12-3-2-4-14(9-12)18-16(20)10-21-15-7-5-13(17)6-8-15/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m0/s1 |
| InChIK | QYASDNWCFJWYNU-NSHDSACASA-N |
| TotalMolweight | 305.76 |
| Molweight | 305.76 |
| MonoisotopicMass | 305.081871 |
| CLogP | 2.6774 |
| CLogS | -3.599 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 232.52 |
| Relative PSA | 0.20471 |
| PolarSurfaceArea | 58.56 |
| Druglikeness | -0.20948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - 2-(4-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]acetamide | 2 - 2-(4-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]acetamide