2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C10H10NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C10H10NO4S |
| Smiles | [O-]C(CNS(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C10H11NO4S/c12-10(13)8-11-16(14,15)7-6-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,12,13)/p-1 |
| InChIK | BENSSPRDYYRKBA-UHFFFAOYSA-M |
| TotalMolweight | 240.258 |
| Molweight | 240.258 |
| MonoisotopicMass | 240.033054 |
| CLogP | -1.6351 |
| CLogS | -2.374 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 178.84 |
| Relative PSA | 0.37665 |
| PolarSurfaceArea | 94.68 |
| Druglikeness | -1.9673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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