[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl] thiophene-2-carboxylate
Formula:C24H16O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C24H16O3S |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C24H16O3S/c25-22(15-12-18-7-3-6-17-5-1-2-8-21(17)18)19-10-13-20(14-11-19)27-24(26)23-9-4-16-28-23/h1-16H |
| InChIK | ZFKKCGFAMRHOSB-UHFFFAOYSA-N |
| TotalMolweight | 384.454 |
| Molweight | 384.454 |
| MonoisotopicMass | 384.082015 |
| CLogP | 5.7953 |
| CLogS | -6.926 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.32 |
| Relative PSA | 0.19111 |
| PolarSurfaceArea | 71.61 |
| Druglikeness | 2.6454 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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