(5Z)-3-cyclohexyl-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H15NO2Br2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-cyclohexyl-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H15NO2Br2S2 |
| Smiles | Oc(c(/C=C(/C(N1C2CCCCC2)=O)\SC1=S)cc(Br)c1)c1Br |
| InChI | InChI=1S/C16H15Br2NO2S2/c17-10-6-9(14(20)12(18)8-10)7-13-15(21)19(16(22)23-13)11-4-2-1-3-5-11/h6-8,11,20H,1-5H2 |
| InChIK | IWNWDEWGPXTJQD-UHFFFAOYSA-N |
| TotalMolweight | 477.24 |
| Molweight | 477.24 |
| MonoisotopicMass | 474.891091 |
| CLogP | 4.0575 |
| CLogS | -6.084 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.13 |
| Relative PSA | 0.27425 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | -3.8838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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