(1,3-dioxoisoindol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate
Formula:C18H12NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1,3-dioxoisoindol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (1,3-dioxoisoindol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate |
| MolecularFormula | C18H12NO4F |
| Smiles | O=C(/C=C/c1cccc(F)c1)OCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C18H12FNO4/c19-13-5-3-4-12(10-13)8-9-16(21)24-11-20-17(22)14-6-1-2-7-15(14)18(20)23/h1-10H,11H2 |
| InChIK | FLQOZUOKRWPHSN-UHFFFAOYSA-N |
| TotalMolweight | 325.294 |
| Molweight | 325.294 |
| MonoisotopicMass | 325.075037 |
| CLogP | 2.851 |
| CLogS | -4.211 |
| H Acceptors | 5 |
| TotalSurfaceArea | 239.68 |
| Relative PSA | 0.21975 |
| PolarSurfaceArea | 63.68 |
| Druglikeness | -2.1101 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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