(E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoate
Formula:C13H14NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C13H14NO4S |
| Smiles | [O-]C(/C=C/c(cc1)ccc1S(N1CCCC1)(=O)=O)=O |
| InChI | InChI=1S/C13H15NO4S/c15-13(16)8-5-11-3-6-12(7-4-11)19(17,18)14-9-1-2-10-14/h3-8H,1-2,9-10H2,(H,15,16)/p-1 |
| InChIK | HEVXYJIQQRXSEG-UHFFFAOYSA-M |
| TotalMolweight | 280.323 |
| Molweight | 280.323 |
| MonoisotopicMass | 280.064354 |
| CLogP | -0.7373 |
| CLogS | -1.824 |
| H Acceptors | 5 |
| TotalSurfaceArea | 205.46 |
| Relative PSA | 0.28935 |
| PolarSurfaceArea | 85.89 |
| Druglikeness | 2.8878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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