(5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H11NO2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11NO2Cl2S2 |
| Smiles | O=C(/C(/S1)=C/c2cccc(OCc(ccc(Cl)c3)c3Cl)c2)NC1=S |
| InChI | InChI=1S/C17H11Cl2NO2S2/c18-12-5-4-11(14(19)8-12)9-22-13-3-1-2-10(6-13)7-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23) |
| InChIK | GZGYXTSPVGGXHL-UHFFFAOYSA-N |
| TotalMolweight | 396.317 |
| Molweight | 396.317 |
| MonoisotopicMass | 394.960823 |
| CLogP | 3.7043 |
| CLogS | -6.313 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.24 |
| Relative PSA | 0.28749 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 2.2483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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