(5E)-5-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H9N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H9N3O3S3 |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1Sc1ncccc1)=O |
| InChI | InChI=1S/C15H9N3O3S3/c19-14-12(24-15(22)17-14)8-9-4-5-11(10(7-9)18(20)21)23-13-3-1-2-6-16-13/h1-8H,(H,17,19,22) |
| InChIK | ISMQVFNYDZQZAL-UHFFFAOYSA-N |
| TotalMolweight | 375.452 |
| Molweight | 375.452 |
| MonoisotopicMass | 374.980602 |
| CLogP | 1.1402 |
| CLogS | -4.714 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.56 |
| Relative PSA | 0.48896 |
| PolarSurfaceArea | 170.5 |
| Druglikeness | -2.7107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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