(5Z)-5-benzylidene-3-[(Z)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-[(Z)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-[(Z)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N2OS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H12N2OS2/c20-16-15(11-13-7-3-1-4-8-13)22-17(21)19(16)18-12-14-9-5-2-6-10-14/h1-12H |
| InChIK | RWXSCGUFLZZHQD-UHFFFAOYSA-N |
| TotalMolweight | 324.427 |
| Molweight | 324.427 |
| MonoisotopicMass | 324.039103 |
| CLogP | 3.0552 |
| CLogS | -5.095 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.24 |
| Relative PSA | 0.29765 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 4.828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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