2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Formula:C19H13NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid |
| MolecularFormula | C19H13NO3Cl2S2 |
| Smiles | OC(C(Cc1ccccc1)N(C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C19H13Cl2NO3S2/c20-13-7-4-8-14(21)12(13)10-16-17(23)22(19(26)27-16)15(18(24)25)9-11-5-2-1-3-6-11/h1-8,10,15H,9H2,(H,24,25)/t15-/m0/s1 |
| InChIK | ZUUHKQXYGKTAMQ-HNNXBMFYSA-N |
| TotalMolweight | 438.354 |
| Molweight | 438.354 |
| MonoisotopicMass | 436.971388 |
| CLogP | 3.5403 |
| CLogS | -5.898 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.68 |
| Relative PSA | 0.2905 |
| PolarSurfaceArea | 115 |
| Druglikeness | 1.4946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid | 2 - 2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
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