(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H13N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H13N3O4S2 |
| Smiles | [O-][N+](c(cc1)cc(/C=C(/C(N2)=O)\SC2=S)c1N1CCOCC1)=O |
| InChI | InChI=1S/C14H13N3O4S2/c18-13-12(23-14(22)15-13)8-9-7-10(17(19)20)1-2-11(9)16-3-5-21-6-4-16/h1-2,7-8H,3-6H2,(H,15,18,22) |
| InChIK | PIJVFMIXDBICRW-UHFFFAOYSA-N |
| TotalMolweight | 351.406 |
| Molweight | 351.406 |
| MonoisotopicMass | 351.034747 |
| CLogP | -0.1084 |
| CLogS | -4.063 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 249.39 |
| Relative PSA | 0.45695 |
| PolarSurfaceArea | 144.78 |
| Druglikeness | -1.5417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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