4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Formula:C19H13N2O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.
| MolName | 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione |
| MolecularFormula | C19H13N2O3FS2 |
| Smiles | O=C(C(C1C=CC2C1)C2C1=O)N1N(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S |
| InChI | InChI=1S/C19H13FN2O3S2/c20-12-5-1-9(2-6-12)7-13-16(23)22(19(26)27-13)21-17(24)14-10-3-4-11(8-10)15(14)18(21)25/h1-7,10-11,14-15H,8H2 |
| InChIK | ZTIBWFMJEMTBIF-UHFFFAOYSA-N |
| TotalMolweight | 400.453 |
| Molweight | 400.453 |
| MonoisotopicMass | 400.035161 |
| CLogP | 0.1089 |
| CLogS | -4.545 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.63 |
| Relative PSA | 0.34656 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | 2.8319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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