2-[(E)-2-(carboxymethylsulfanyl)ethenyl]sulfanylacetic acid
Formula:C6H8O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(carboxymethylsulfanyl)ethenyl]sulfanylacetic acid is a drug-like molecule.
| MolName | 2-[(E)-2-(carboxymethylsulfanyl)ethenyl]sulfanylacetic acid |
| MolecularFormula | C6H8O4S2 |
| Smiles | OC(CS/C=C/SCC(O)=O)=O |
| InChI | InChI=1S/C6H8O4S2/c7-5(8)3-11-1-2-12-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10) |
| InChIK | WZMPNIAFYLFXEV-UHFFFAOYSA-N |
| TotalMolweight | 208.258 |
| Molweight | 208.258 |
| MonoisotopicMass | 207.9864 |
| CLogP | -0.6138 |
| CLogS | -1.268 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 150.7 |
| Relative PSA | 0.57903 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -0.62524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(E)-2-(carboxymethylsulfanyl)ethenyl]sulfanylacetic acid | 2 - 2-[(E)-2-(carboxymethylsulfanyl)ethenyl]sulfanylacetic acid
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