[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] furan-2-carboxylate
Formula:C20H12O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] furan-2-carboxylate |
| MolecularFormula | C20H12O4ClF |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c(cc(cc1)F)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C20H12ClFO4/c21-14-6-3-13(4-7-14)5-9-17(23)16-12-15(22)8-10-18(16)26-20(24)19-2-1-11-25-19/h1-12H |
| InChIK | RRIZDEGLUBOZCX-UHFFFAOYSA-N |
| TotalMolweight | 370.762 |
| Molweight | 370.762 |
| MonoisotopicMass | 370.040815 |
| CLogP | 4.6298 |
| CLogS | -6.042 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.24 |
| Relative PSA | 0.18169 |
| PolarSurfaceArea | 56.51 |
| Druglikeness | -0.66502 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] furan-2-carboxylate | 2 - [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] furan-2-carboxylate
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