2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,5-dimethylphenoxy)acetate
Formula:C20H19NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,5-dimethylphenoxy)acetate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,5-dimethylphenoxy)acetate |
| MolecularFormula | C20H19NO5 |
| Smiles | Cc1cc(OCC(OCCN(C(c2c3cccc2)=O)C3=O)=O)cc(C)c1 |
| InChI | InChI=1S/C20H19NO5/c1-13-9-14(2)11-15(10-13)26-12-18(22)25-8-7-21-19(23)16-5-3-4-6-17(16)20(21)24/h3-6,9-11H,7-8,12H2,1-2H3 |
| InChIK | HEIULWWBKXYCRU-UHFFFAOYSA-N |
| TotalMolweight | 353.373 |
| Molweight | 353.373 |
| MonoisotopicMass | 353.126324 |
| CLogP | 2.6643 |
| CLogS | -3.466 |
| H Acceptors | 6 |
| TotalSurfaceArea | 268.87 |
| Relative PSA | 0.23309 |
| PolarSurfaceArea | 72.91 |
| Druglikeness | 3.7814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,5-dimethylphenoxy)acetate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,5-dimethylphenoxy)acetate
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