(5E)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H10N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H10N2O4S2 |
| Smiles | [O-][N+](c1ccc(/C=C(\C(N2Cc3ccco3)=O)/SC2=S)cc1)=O |
| InChI | InChI=1S/C15H10N2O4S2/c18-14-13(8-10-3-5-11(6-4-10)17(19)20)23-15(22)16(14)9-12-2-1-7-21-12/h1-8H,9H2 |
| InChIK | MKXNOKKSBOIWEG-UHFFFAOYSA-N |
| TotalMolweight | 346.386 |
| Molweight | 346.386 |
| MonoisotopicMass | 346.008198 |
| CLogP | 1.0823 |
| CLogS | -4.603 |
| H Acceptors | 6 |
| TotalSurfaceArea | 249.6 |
| Relative PSA | 0.42712 |
| PolarSurfaceArea | 136.66 |
| Druglikeness | -1.2577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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