2-[(E)-3-oxo-3-phenylprop-1-enyl]isoindole-1,3-dione
Formula:C17H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-oxo-3-phenylprop-1-enyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(E)-3-oxo-3-phenylprop-1-enyl]isoindole-1,3-dione |
| MolecularFormula | C17H11NO3 |
| Smiles | O=C(/C=C/N(C(c1c2cccc1)=O)C2=O)c1ccccc1 |
| InChI | InChI=1S/C17H11NO3/c19-15(12-6-2-1-3-7-12)10-11-18-16(20)13-8-4-5-9-14(13)17(18)21/h1-11H |
| InChIK | XGOIPSPRYYSFMC-UHFFFAOYSA-N |
| TotalMolweight | 277.278 |
| Molweight | 277.278 |
| MonoisotopicMass | 277.073894 |
| CLogP | 2.1615 |
| CLogS | -3.735 |
| H Acceptors | 4 |
| TotalSurfaceArea | 209.57 |
| Relative PSA | 0.20361 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | 2.3948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-3-oxo-3-phenylprop-1-enyl]isoindole-1,3-dione | 2 - 2-[(E)-3-oxo-3-phenylprop-1-enyl]isoindole-1,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off