6-[(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C23H22NO4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C23H22NO4ClS2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/c(cccc2)c2OCc(cccc2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C23H22ClNO4S2/c24-18-10-5-3-9-17(18)15-29-19-11-6-4-8-16(19)14-20-22(28)25(23(30)31-20)13-7-1-2-12-21(26)27/h3-6,8-11,14H,1-2,7,12-13,15H2,(H,26,27) |
| InChIK | AOFJYOOACGLUCU-UHFFFAOYSA-N |
| TotalMolweight | 476.016 |
| Molweight | 476.016 |
| MonoisotopicMass | 475.067876 |
| CLogP | 4.2988 |
| CLogS | -6.07 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.56 |
| Relative PSA | 0.27702 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | -5.4863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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