(5Z)-3-(3-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H12NOClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(3-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H12NOClS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cccc3ccccc23)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H12ClNOS2/c21-15-8-4-9-16(12-15)22-19(23)18(25-20(22)24)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-12H |
| InChIK | VYBOLHDCFGAMSA-UHFFFAOYSA-N |
| TotalMolweight | 381.906 |
| Molweight | 381.906 |
| MonoisotopicMass | 381.004881 |
| CLogP | 4.6927 |
| CLogS | -7.325 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.5 |
| Relative PSA | 0.22782 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 2.8296 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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