2-[(E)-2-thiophen-2-ylethenyl]benzoate
Formula:C13H9O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-thiophen-2-ylethenyl]benzoate is a drug-like molecule.
| MolName | 2-[(E)-2-thiophen-2-ylethenyl]benzoate |
| MolecularFormula | C13H9O2S |
| Smiles | [O-]C(c1c(/C=C/c2cccs2)cccc1)=O |
| InChI | InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/p-1 |
| InChIK | ISSJZCAENPGUEW-UHFFFAOYSA-M |
| TotalMolweight | 229.278 |
| Molweight | 229.278 |
| MonoisotopicMass | 229.032325 |
| CLogP | 1.1423 |
| CLogS | -3.775 |
| H Acceptors | 2 |
| TotalSurfaceArea | 180.74 |
| Relative PSA | 0.2638 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 1.5468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-thiophen-2-ylethenyl]benzoate | 2 - 2-[(E)-2-thiophen-2-ylethenyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off