2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-1,3-dione
Formula:C23H15NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]isoindole-1,3-dione |
| MolecularFormula | C23H15NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(C(c1c2cccc1)=O)C2=O)c1ccccc1 |
| InChI | InChI=1S/C23H15NO3/c25-21(17-6-2-1-3-7-17)15-12-16-10-13-18(14-11-16)24-22(26)19-8-4-5-9-20(19)23(24)27/h1-15H |
| InChIK | YJHRKOSAQVRHNT-UHFFFAOYSA-N |
| TotalMolweight | 353.376 |
| Molweight | 353.376 |
| MonoisotopicMass | 353.105194 |
| CLogP | 4.133 |
| CLogS | -5.694 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.33 |
| Relative PSA | 0.15843 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | 2.5612 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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