(E)-3-(5-chlorothiophen-3-yl)prop-2-enoate
Formula:C7H4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-chlorothiophen-3-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(5-chlorothiophen-3-yl)prop-2-enoate |
| MolecularFormula | C7H4O2ClS |
| Smiles | [O-]C(/C=C/c1csc(Cl)c1)=O |
| InChI | InChI=1S/C7H5ClO2S/c8-6-3-5(4-11-6)1-2-7(9)10/h1-4H,(H,9,10)/p-1 |
| InChIK | MMAQJDKHULSJSH-UHFFFAOYSA-M |
| TotalMolweight | 187.626 |
| Molweight | 187.626 |
| MonoisotopicMass | 186.962052 |
| CLogP | -0.0069997 |
| CLogS | -2.652 |
| H Acceptors | 2 |
| TotalSurfaceArea | 136.4 |
| Relative PSA | 0.34956 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 0.53662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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