(5Z)-3-amino-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H7N2OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-amino-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-amino-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H7N2OClS2 |
| Smiles | NN(C(/C(/S1)=C/c2cccc(Cl)c2)=O)C1=S |
| InChI | InChI=1S/C10H7ClN2OS2/c11-7-3-1-2-6(4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2 |
| InChIK | FVNWBTNOMANCCW-UHFFFAOYSA-N |
| TotalMolweight | 270.764 |
| Molweight | 270.764 |
| MonoisotopicMass | 269.96883 |
| CLogP | 0.4424 |
| CLogS | -4.092 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 186.66 |
| Relative PSA | 0.41439 |
| PolarSurfaceArea | 103.72 |
| Druglikeness | 0.66503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (5Z)-3-amino-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-amino-5-[(3-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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