| MolName | [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate |
| MolecularFormula | C23H15N2O8ClS |
| Smiles | O=C(c1ccco1)Oc1cc(OC(c2ccco2)=O)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1 |
| InChI | InChI=1S/C23H15ClN2O8S/c24-16-6-9-18(10-7-16)35(29,30)26-25-14-15-5-8-17(33-22(27)19-3-1-11-31-19)13-21(15)34-23(28)20-4-2-12-32-20/h1-14,26H |
| InChIK | AZKXZEDCNZLJGT-UHFFFAOYSA-N |
| TotalMolweight | 514.897 |
| Molweight | 514.897 |
| MonoisotopicMass | 514.023765 |
| CLogP | 4.1215 |
| CLogS | -4.956 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 367.64 |
| Relative PSA | 0.34232 |
| PolarSurfaceArea | 145.79 |
| Druglikeness | 2.7369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate