4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene-3-carboxylate
Formula:C11H6O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene-3-carboxylate is a drug-like molecule.
| MolName | 4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene-3-carboxylate |
| MolecularFormula | C11H6O2ClS2 |
| Smiles | [O-]C(c1cscc1/C=C/c(ccs1)c1Cl)=O |
| InChI | InChI=1S/C11H7ClO2S2/c12-10-7(3-4-16-10)1-2-8-5-15-6-9(8)11(13)14/h1-6H,(H,13,14)/p-1 |
| InChIK | IOSWHKMFHQCYME-UHFFFAOYSA-M |
| TotalMolweight | 269.752 |
| Molweight | 269.752 |
| MonoisotopicMass | 268.949772 |
| CLogP | 1.6552 |
| CLogS | -4.318 |
| H Acceptors | 2 |
| TotalSurfaceArea | 192.1 |
| Relative PSA | 0.35419 |
| PolarSurfaceArea | 96.61 |
| Druglikeness | 1.1562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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