2-[(E)-2-phenylethenyl]sulfonylacetic acid
Formula:C10H10O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]sulfonylacetic acid is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]sulfonylacetic acid |
| MolecularFormula | C10H10O4S |
| Smiles | OC(CS(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C10H10O4S/c11-10(12)8-15(13,14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12) |
| InChIK | WCOXFTGMNJJABC-UHFFFAOYSA-N |
| TotalMolweight | 226.251 |
| Molweight | 226.251 |
| MonoisotopicMass | 226.02998 |
| CLogP | 0.1537 |
| CLogS | -1.953 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 166.2 |
| Relative PSA | 0.32924 |
| PolarSurfaceArea | 79.82 |
| Druglikeness | -4.7436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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