2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
Formula:C22H20N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(furan-2-ylmethyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C22H20N3O5Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C22H20ClN3O5/c23-17-5-9-19(10-6-17)31-15-22(28)26-25-12-16-3-7-18(8-4-16)30-14-21(27)24-13-20-2-1-11-29-20/h1-12H,13-15H2,(H,24,27)(H,26,28) |
| InChIK | XOINEDILVAVWBW-UHFFFAOYSA-N |
| TotalMolweight | 441.87 |
| Molweight | 441.87 |
| MonoisotopicMass | 441.109149 |
| CLogP | 3.003 |
| CLogS | -5.027 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 342.35 |
| Relative PSA | 0.27638 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 5.0832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(furan-2-ylmethyl)acetamide | 2 - 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
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