(E)-3-thiophen-3-ylprop-2-enoate
Formula:C7H5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-3-ylprop-2-enoate is a drug-like molecule.
| MolName | (E)-3-thiophen-3-ylprop-2-enoate |
| MolecularFormula | C7H5O2S |
| Smiles | [O-]C(/C=C/c1cscc1)=O |
| InChI | InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/p-1 |
| InChIK | VYRYYUKILKRGDN-UHFFFAOYSA-M |
| TotalMolweight | 153.181 |
| Molweight | 153.181 |
| MonoisotopicMass | 153.001025 |
| CLogP | -0.8177 |
| CLogS | -1.899 |
| H Acceptors | 2 |
| TotalSurfaceArea | 120.98 |
| Relative PSA | 0.39411 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 0.32677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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