2-(4-phenoxyphenoxy)ethyl (E)-3-phenylprop-2-enoate
Formula:C23H20O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-phenoxyphenoxy)ethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 2-(4-phenoxyphenoxy)ethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H20O4 |
| Smiles | O=C(/C=C/c1ccccc1)OCCOc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C23H20O4/c24-23(16-11-19-7-3-1-4-8-19)26-18-17-25-20-12-14-22(15-13-20)27-21-9-5-2-6-10-21/h1-16H,17-18H2 |
| InChIK | KWTLKCNANCSWFP-UHFFFAOYSA-N |
| TotalMolweight | 360.408 |
| Molweight | 360.408 |
| MonoisotopicMass | 360.13616 |
| CLogP | 4.7224 |
| CLogS | -5.674 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.55 |
| Relative PSA | 0.14612 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -9.855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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