(2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetic acid
Formula:C5H5NO3S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetic acid is a drug-like molecule.
| MolName | (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetic acid |
| MolecularFormula | C5H5NO3S |
| Smiles | OC(/C=C(/N1)\SCC1=O)=O |
| InChI | InChI=1S/C5H5NO3S/c7-3-2-10-4(6-3)1-5(8)9/h1H,2H2,(H,6,7)(H,8,9) |
| InChIK | RIIMAAYJVFZRIS-UHFFFAOYSA-N |
| TotalMolweight | 159.165 |
| Molweight | 159.165 |
| MonoisotopicMass | 158.999014 |
| CLogP | -0.6614 |
| CLogS | -1.229 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 109.27 |
| Relative PSA | 0.6235 |
| PolarSurfaceArea | 91.7 |
| Druglikeness | 2.2205 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetic acid | 2 - (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetic acid
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