(5Z)-3-(4-chlorophenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H13N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H13N2O2ClS2 |
| Smiles | O=C(/C(/SC1=S)=C/N2CCOCC2)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H13ClN2O2S2/c15-10-1-3-11(4-2-10)17-13(18)12(21-14(17)20)9-16-5-7-19-8-6-16/h1-4,9H,5-8H2 |
| InChIK | AJKYPLVTGDROHS-UHFFFAOYSA-N |
| TotalMolweight | 340.854 |
| Molweight | 340.854 |
| MonoisotopicMass | 340.010695 |
| CLogP | 1.1958 |
| CLogS | -3.863 |
| H Acceptors | 4 |
| TotalSurfaceArea | 239.98 |
| Relative PSA | 0.31515 |
| PolarSurfaceArea | 90.17 |
| Druglikeness | 3.1345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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