[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate
Formula:C16H10NO4ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate |
| MolecularFormula | C16H10NO4ClS3 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OS(c(cc2)ccc2Cl)(=O)=O)NC1=S |
| InChI | InChI=1S/C16H10ClNO4S3/c17-11-3-7-13(8-4-11)25(20,21)22-12-5-1-10(2-6-12)9-14-15(19)18-16(23)24-14/h1-9H,(H,18,19,23) |
| InChIK | ORYDCHGWSJSING-UHFFFAOYSA-N |
| TotalMolweight | 411.909 |
| Molweight | 411.909 |
| MonoisotopicMass | 410.946046 |
| CLogP | 2.6291 |
| CLogS | -5.01 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.64 |
| Relative PSA | 0.39105 |
| PolarSurfaceArea | 138.24 |
| Druglikeness | 2.9425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate | 2 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate
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