(5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C16H10N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H10N2O4S |
| Smiles | [O-][N+](c1cccc(/C=C(\C(N2c3ccccc3)=O)/SC2=O)c1)=O |
| InChI | InChI=1S/C16H10N2O4S/c19-15-14(10-11-5-4-8-13(9-11)18(21)22)23-16(20)17(15)12-6-2-1-3-7-12/h1-10H |
| InChIK | DBZZGDZHPICREM-UHFFFAOYSA-N |
| TotalMolweight | 326.331 |
| Molweight | 326.331 |
| MonoisotopicMass | 326.036128 |
| CLogP | 2.3159 |
| CLogS | -5.092 |
| H Acceptors | 6 |
| TotalSurfaceArea | 231.19 |
| Relative PSA | 0.3354 |
| PolarSurfaceArea | 108.5 |
| Druglikeness | -1.872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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