[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate
Formula:C24H18O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H18O4 |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H18O4/c25-23(17-11-19-7-3-1-4-8-19)27-21-13-15-22(16-14-21)28-24(26)18-12-20-9-5-2-6-10-20/h1-18H |
| InChIK | WRSMMCLSOINDTR-UHFFFAOYSA-N |
| TotalMolweight | 370.403 |
| Molweight | 370.403 |
| MonoisotopicMass | 370.12051 |
| CLogP | 5.179 |
| CLogS | -5.296 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.28 |
| Relative PSA | 0.15295 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -3.3182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 17 |
| StereoCon |
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