[2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate
Formula:C26H18O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C26H18O3S |
| Smiles | O=C(/C=C/c(cccc1)c1OC(c1cccs1)=O)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C26H18O3S/c27-23(21-14-12-20(13-15-21)19-7-2-1-3-8-19)17-16-22-9-4-5-10-24(22)29-26(28)25-11-6-18-30-25/h1-18H |
| InChIK | XZYDRXXGRVSNNU-UHFFFAOYSA-N |
| TotalMolweight | 410.492 |
| Molweight | 410.492 |
| MonoisotopicMass | 410.097665 |
| CLogP | 6.2601 |
| CLogS | -7.406 |
| H Acceptors | 3 |
| TotalSurfaceArea | 320.48 |
| Relative PSA | 0.17611 |
| PolarSurfaceArea | 71.61 |
| Druglikeness | 2.6454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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