(E)-2-(4-hydroxyphenyl)sulfanylbut-2-enedioic acid
Formula:C10H8O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-hydroxyphenyl)sulfanylbut-2-enedioic acid is a drug-like molecule.
| MolName | (E)-2-(4-hydroxyphenyl)sulfanylbut-2-enedioic acid |
| MolecularFormula | C10H8O5S |
| Smiles | OC(/C=C(\C(O)=O)/Sc(cc1)ccc1O)=O |
| InChI | InChI=1S/C10H8O5S/c11-6-1-3-7(4-2-6)16-8(10(14)15)5-9(12)13/h1-5,11H,(H,12,13)(H,14,15) |
| InChIK | LWHTZDZFUAEPCB-UHFFFAOYSA-N |
| TotalMolweight | 240.235 |
| Molweight | 240.235 |
| MonoisotopicMass | 240.009245 |
| CLogP | 0.6244 |
| CLogS | -1.952 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 170.01 |
| Relative PSA | 0.48744 |
| PolarSurfaceArea | 120.13 |
| Druglikeness | 1.913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| 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 | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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