(5Z)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H11NO2BrFS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11NO2BrFS2 |
| Smiles | O=C(/C(/S1)=C/c(cc(cc2)Br)c2OCc2cc(F)ccc2)NC1=S |
| InChI | InChI=1S/C17H11BrFNO2S2/c18-12-4-5-14(22-9-10-2-1-3-13(19)6-10)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23) |
| InChIK | YUFSXJYJOOCGKM-UHFFFAOYSA-N |
| TotalMolweight | 424.313 |
| Molweight | 424.313 |
| MonoisotopicMass | 422.939858 |
| CLogP | 3.3183 |
| CLogS | -5.989 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.38 |
| Relative PSA | 0.29367 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | -0.95796 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| 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-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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