(5E)-5-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H16NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H16NO3ClS2 |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2OCCCOc(cccc2)c2Cl)NC1=S |
| InChI | InChI=1S/C19H16ClNO3S2/c20-15-4-1-2-5-16(15)24-11-3-10-23-14-8-6-13(7-9-14)12-17-18(22)21-19(25)26-17/h1-2,4-9,12H,3,10-11H2,(H,21,22,25) |
| InChIK | WLXBKFXDUFOOCZ-UHFFFAOYSA-N |
| TotalMolweight | 405.925 |
| Molweight | 405.925 |
| MonoisotopicMass | 405.026011 |
| CLogP | 3.5596 |
| CLogS | -5.774 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.34 |
| Relative PSA | 0.29963 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | 2.0466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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