| MolName | (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C26H16N3O4ClS |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=C(/C(N3c4ccccc4)=O)\S/C3=N\c3ccccc3)o2)c1Cl)=O |
| InChI | InChI=1S/C26H16ClN3O4S/c27-22-13-11-19(30(32)33)15-21(22)23-14-12-20(34-23)16-24-25(31)29(18-9-5-2-6-10-18)26(35-24)28-17-7-3-1-4-8-17/h1-16H |
| InChIK | HDSYDKLRRAAEIJ-UHFFFAOYSA-N |
| TotalMolweight | 501.949 |
| Molweight | 501.949 |
| MonoisotopicMass | 501.055004 |
| CLogP | 5.3013 |
| CLogS | -8.506 |
| H Acceptors | 7 |
| TotalSurfaceArea | 361.04 |
| Relative PSA | 0.24961 |
| PolarSurfaceArea | 116.93 |
| Druglikeness | -0.69642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one