(2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C14H15NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | (2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C14H15NO6S |
| Smiles | O=C(CNS(/C=C/c1ccccc1)(=O)=O)OC(CCO1)C1=O |
| InChI | InChI=1S/C14H15NO6S/c16-13(21-12-6-8-20-14(12)17)10-15-22(18,19)9-7-11-4-2-1-3-5-11/h1-5,7,9,12,15H,6,8,10H2/t12-/m0/s1 |
| InChIK | NNAIANGKKQSNFB-LBPRGKRZSA-N |
| TotalMolweight | 325.34 |
| Molweight | 325.34 |
| MonoisotopicMass | 325.062009 |
| CLogP | 0.3523 |
| CLogS | -2.899 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.36557 |
| PolarSurfaceArea | 107.15 |
| Druglikeness | -0.022227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - (2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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