(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9N2O3ClS2 |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1c2ccccc2)=O)/SC1=S)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H9ClN2O3S2/c17-12-7-6-10(8-13(12)19(21)22)9-14-15(20)18(16(23)24-14)11-4-2-1-3-5-11/h1-9H |
| InChIK | UFAILHPNCRYCQD-UHFFFAOYSA-N |
| TotalMolweight | 376.843 |
| Molweight | 376.843 |
| MonoisotopicMass | 375.97431 |
| CLogP | 2.5767 |
| CLogS | -6.179 |
| H Acceptors | 5 |
| TotalSurfaceArea | 261.57 |
| Relative PSA | 0.35363 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -2.2179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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