[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] furan-2-carboxylate
Formula:C20H14O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H14O4 |
| Smiles | O=C(/C=C/c(cccc1)c1OC(c1ccco1)=O)c1ccccc1 |
| InChI | InChI=1S/C20H14O4/c21-17(15-7-2-1-3-8-15)13-12-16-9-4-5-10-18(16)24-20(22)19-11-6-14-23-19/h1-14H |
| InChIK | MGOZWDMBSCGSSA-UHFFFAOYSA-N |
| TotalMolweight | 318.327 |
| Molweight | 318.327 |
| MonoisotopicMass | 318.08921 |
| CLogP | 3.923 |
| CLogS | -4.992 |
| H Acceptors | 4 |
| TotalSurfaceArea | 254.47 |
| Relative PSA | 0.19723 |
| PolarSurfaceArea | 56.51 |
| Druglikeness | 0.57269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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-oxo-3-phenylprop-1-enyl]phenyl] furan-2-carboxylate | 2 - [2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] furan-2-carboxylate
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