2-[(E)-2-phenylethenyl]-1,3-thiazolidine-4-carboxylic acid
Formula:C12H13NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1,3-thiazolidine-4-carboxylic acid is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1,3-thiazolidine-4-carboxylic acid |
| MolecularFormula | C12H13NO2S |
| Smiles | OC(C1NC(/C=C/c2ccccc2)SC1)=O |
| InChI | InChI=1S/C12H13NO2S/c14-12(15)10-8-16-11(13-10)7-6-9-4-2-1-3-5-9/h1-7,10-11,13H,8H2,(H,14,15) |
| InChIK | AVCZCIMDECJOPA-UHFFFAOYSA-N |
| TotalMolweight | 235.306 |
| Molweight | 235.306 |
| MonoisotopicMass | 235.066699 |
| CLogP | -0.1327 |
| CLogS | -2.453 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 178.07 |
| Relative PSA | 0.30937 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 2.1962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - 2-[(E)-2-phenylethenyl]-1,3-thiazolidine-4-carboxylic acid | 2 - 2-[(E)-2-phenylethenyl]-1,3-thiazolidine-4-carboxylic acid
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