[4-[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]phenyl] thiophene-2-carboxylate
Formula:C27H19O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C27H19O4FS |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc(cc1)ccc1F)c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C27H19FO4S/c28-22-10-3-20(4-11-22)18-31-23-12-5-19(6-13-23)7-16-25(29)21-8-14-24(15-9-21)32-27(30)26-2-1-17-33-26/h1-17H,18H2 |
| InChIK | BWNLVXVRDDTBPC-UHFFFAOYSA-N |
| TotalMolweight | 458.508 |
| Molweight | 458.508 |
| MonoisotopicMass | 458.098808 |
| CLogP | 6.0498 |
| CLogS | -6.975 |
| H Acceptors | 4 |
| TotalSurfaceArea | 350.59 |
| Relative PSA | 0.18951 |
| PolarSurfaceArea | 80.84 |
| Druglikeness | 1.1686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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