2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-phenylprop-2-enoate
Formula:C19H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C19H15NO4 |
| Smiles | O=C(/C=C/c1ccccc1)OCCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C19H15NO4/c21-17(11-10-14-6-2-1-3-7-14)24-13-12-20-18(22)15-8-4-5-9-16(15)19(20)23/h1-11H,12-13H2 |
| InChIK | XEDBYYXKMTYTDP-UHFFFAOYSA-N |
| TotalMolweight | 321.331 |
| Molweight | 321.331 |
| MonoisotopicMass | 321.100109 |
| CLogP | 2.7308 |
| CLogS | -3.368 |
| H Acceptors | 5 |
| TotalSurfaceArea | 247.09 |
| Relative PSA | 0.21316 |
| PolarSurfaceArea | 63.68 |
| Druglikeness | 1.5743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-phenylprop-2-enoate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off