2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(3-fluorophenyl)prop-2-enoate
Formula:C19H14NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(3-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(3-fluorophenyl)prop-2-enoate |
| MolecularFormula | C19H14NO4F |
| Smiles | O=C(/C=C/c1cccc(F)c1)OCCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C19H14FNO4/c20-14-5-3-4-13(12-14)8-9-17(22)25-11-10-21-18(23)15-6-1-2-7-16(15)19(21)24/h1-9,12H,10-11H2 |
| InChIK | YSLVRFCQCOMCDK-UHFFFAOYSA-N |
| TotalMolweight | 339.321 |
| Molweight | 339.321 |
| MonoisotopicMass | 339.090687 |
| CLogP | 2.8316 |
| CLogS | -3.682 |
| H Acceptors | 5 |
| TotalSurfaceArea | 253.44 |
| Relative PSA | 0.20782 |
| PolarSurfaceArea | 63.68 |
| Druglikeness | 0.23427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(3-fluorophenyl)prop-2-enoate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(3-fluorophenyl)prop-2-enoate
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