11-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Formula:C21H25NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
11-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.
| MolName | 11-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid |
| MolecularFormula | C21H25NO3Cl2S2 |
| Smiles | OC(CCCCCCCCCCN(C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C21H25Cl2NO3S2/c22-16-10-9-11-17(23)15(16)14-18-20(27)24(21(28)29-18)13-8-6-4-2-1-3-5-7-12-19(25)26/h9-11,14H,1-8,12-13H2,(H,25,26) |
| InChIK | PLHBUOBRJNGCRQ-UHFFFAOYSA-N |
| TotalMolweight | 474.472 |
| Molweight | 474.472 |
| MonoisotopicMass | 473.065288 |
| CLogP | 5.8287 |
| CLogS | -6.815 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 355.26 |
| Relative PSA | 0.24833 |
| PolarSurfaceArea | 115 |
| Druglikeness | -6.677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 12 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 11-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid | 2 - 11-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
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