2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Formula:C19H15NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid |
| MolecularFormula | C19H15NO4S2 |
| Smiles | OC(C(Cc1ccccc1)N(C(/C(/S1)=C/c2cc(O)ccc2)=O)C1=S)=O |
| InChI | InChI=1S/C19H15NO4S2/c21-14-8-4-7-13(9-14)11-16-17(22)20(19(25)26-16)15(18(23)24)10-12-5-2-1-3-6-12/h1-9,11,15,21H,10H2,(H,23,24)/t15-/m0/s1 |
| InChIK | OWLCEBGYKTXELX-HNNXBMFYSA-N |
| TotalMolweight | 385.463 |
| Molweight | 385.463 |
| MonoisotopicMass | 385.044249 |
| CLogP | 1.9826 |
| CLogS | -4.13 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.19 |
| Relative PSA | 0.36291 |
| PolarSurfaceArea | 135.23 |
| Druglikeness | 1.4239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid | 2 - 2-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
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