3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C10H6N2OF2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H6N2OF2S2 |
| Smiles | O=C(CSC1=S)N1N=Cc(c(F)ccc1)c1F |
| InChI | InChI=1S/C10H6F2N2OS2/c11-7-2-1-3-8(12)6(7)4-13-14-9(15)5-17-10(14)16/h1-4H,5H2 |
| InChIK | CAAQUCDQOLWMBX-UHFFFAOYSA-N |
| TotalMolweight | 272.299 |
| Molweight | 272.299 |
| MonoisotopicMass | 271.988959 |
| CLogP | 1.1434 |
| CLogS | -3.893 |
| H Acceptors | 3 |
| TotalSurfaceArea | 189.23 |
| Relative PSA | 0.38889 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 2.4447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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