6-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C16H17NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C16H17NO4S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/c(cc2)ccc2O)=O)C1=S)=O |
| InChI | InChI=1S/C16H17NO4S2/c18-12-7-5-11(6-8-12)10-13-15(21)17(16(22)23-13)9-3-1-2-4-14(19)20/h5-8,10,18H,1-4,9H2,(H,19,20) |
| InChIK | HCQKRFOWSSSAFW-UHFFFAOYSA-N |
| TotalMolweight | 351.446 |
| Molweight | 351.446 |
| MonoisotopicMass | 351.059899 |
| CLogP | 1.999 |
| CLogS | -3.697 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.97 |
| Relative PSA | 0.38676 |
| PolarSurfaceArea | 135.23 |
| Druglikeness | -5.5092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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