2-[(E)-3-phenylprop-2-enoyl]oxyethyl (E)-3-phenylprop-2-enoate
Formula:C20H18O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enoyl]oxyethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enoyl]oxyethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C20H18O4 |
| Smiles | O=C(/C=C/c1ccccc1)OCCOC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C20H18O4/c21-19(13-11-17-7-3-1-4-8-17)23-15-16-24-20(22)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2 |
| InChIK | RWPXPQGCHDQBSO-UHFFFAOYSA-N |
| TotalMolweight | 322.359 |
| Molweight | 322.359 |
| MonoisotopicMass | 322.12051 |
| CLogP | 3.639 |
| CLogS | -3.87 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.04 |
| Relative PSA | 0.17128 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -9.855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 14 |
| StereoCon |
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