[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] benzoate
Formula:C22H15O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] benzoate |
| MolecularFormula | C22H15O3Cl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H15ClO3/c23-20-9-5-4-6-16(20)12-15-21(24)17-10-13-19(14-11-17)26-22(25)18-7-2-1-3-8-18/h1-15H |
| InChIK | ZZYSEPBLFKLCMO-UHFFFAOYSA-N |
| TotalMolweight | 362.811 |
| Molweight | 362.811 |
| MonoisotopicMass | 362.070972 |
| CLogP | 5.3403 |
| CLogS | -6.046 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.2 |
| Relative PSA | 0.12877 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 0.18192 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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