3-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Formula:C19H15NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.
| MolName | 3-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| MolecularFormula | C19H15NO3S2 |
| Smiles | OC(CCN(C(/C(/S1)=C/c(cc2)ccc2-c2ccccc2)=O)C1=S)=O |
| InChI | InChI=1S/C19H15NO3S2/c21-17(22)10-11-20-18(23)16(25-19(20)24)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,22) |
| InChIK | OPALVWGYQNCVKK-UHFFFAOYSA-N |
| TotalMolweight | 369.464 |
| Molweight | 369.464 |
| MonoisotopicMass | 369.049334 |
| CLogP | 2.6407 |
| CLogS | -5.269 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.1 |
| Relative PSA | 0.32185 |
| PolarSurfaceArea | 115 |
| Druglikeness | 4.1136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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