3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H9N2O2FS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H9N2O2FS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C14H9FN2O2S2/c15-10-3-1-9(2-4-10)12-6-5-11(19-12)7-16-17-13(18)8-21-14(17)20/h1-7H,8H2 |
| InChIK | DFENMFUMGMSAKI-UHFFFAOYSA-N |
| TotalMolweight | 320.367 |
| Molweight | 320.367 |
| MonoisotopicMass | 320.008946 |
| CLogP | 1.9815 |
| CLogS | -5.039 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.33 |
| Relative PSA | 0.37748 |
| PolarSurfaceArea | 103.2 |
| Druglikeness | 4.9913 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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