| MolName | (5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H15N3O4ClF3S |
| Smiles | N=C(N(C1=O)c2cc(C(F)(F)F)ccc2)S/C1=C\c(cc(cc1)[N+]([O-])=O)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C24H15ClF3N3O4S/c25-19-7-2-1-4-14(19)13-35-20-9-8-18(31(33)34)10-15(20)11-21-22(32)30(23(29)36-21)17-6-3-5-16(12-17)24(26,27)28/h1-12,29H,13H2 |
| InChIK | LKLAOALHEAFYBT-UHFFFAOYSA-N |
| TotalMolweight | 533.913 |
| Molweight | 533.913 |
| MonoisotopicMass | 533.042388 |
| CLogP | 4.7193 |
| CLogS | -7.127 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 362.15 |
| Relative PSA | 0.24879 |
| PolarSurfaceArea | 124.51 |
| Druglikeness | -8.8693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one