[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H17O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H17O3Cl |
| Smiles | O=C(/C=C/c1cc(OC(/C=C/c2ccccc2)=O)ccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H17ClO3/c25-21-13-11-20(12-14-21)23(26)15-9-19-7-4-8-22(17-19)28-24(27)16-10-18-5-2-1-3-6-18/h1-17H |
| InChIK | PORCOGICMSJRIG-UHFFFAOYSA-N |
| TotalMolweight | 388.849 |
| Molweight | 388.849 |
| MonoisotopicMass | 388.086622 |
| CLogP | 5.6695 |
| CLogS | -6.416 |
| H Acceptors | 3 |
| TotalSurfaceArea | 306.7 |
| Relative PSA | 0.11764 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -2.3066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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