2-[(E)-2-thiophen-2-ylethenyl]furan-3-carboxylate
Formula:C11H7O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]furan-3-carboxylate is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]furan-3-carboxylate |
| MolecularFormula | C11H7O3S |
| Smiles | [O-]C(c1c(/C=C/c2cccs2)occ1)=O |
| InChI | InChI=1S/C11H8O3S/c12-11(13)9-5-6-14-10(9)4-3-8-2-1-7-15-8/h1-7H,(H,12,13)/p-1 |
| InChIK | UMQOSOXRDQZLFU-UHFFFAOYSA-M |
| TotalMolweight | 219.24 |
| Molweight | 219.24 |
| MonoisotopicMass | 219.01159 |
| CLogP | 0.331 |
| CLogS | -3.457 |
| H Acceptors | 3 |
| TotalSurfaceArea | 170.43 |
| Relative PSA | 0.36255 |
| PolarSurfaceArea | 81.51 |
| Druglikeness | 2.0518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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