| MolName | (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide |
| MolecularFormula | C19H19N4O6Cl |
| Smiles | C/C(/CC(Nc(ccc(OC)c1)c1[N+]([O-])=O)=O)=N/NC(COc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H19ClN4O6/c1-12(22-23-19(26)11-30-14-5-3-13(20)4-6-14)9-18(25)21-16-8-7-15(29-2)10-17(16)24(27)28/h3-8,10H,9,11H2,1-2H3,(H,21,25)(H,23,26) |
| InChIK | MVLYQJDLQHIACN-UHFFFAOYSA-N |
| TotalMolweight | 434.835 |
| Molweight | 434.835 |
| MonoisotopicMass | 434.099313 |
| CLogP | 2.0171 |
| CLogS | -4.925 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 325.54 |
| Relative PSA | 0.34076 |
| PolarSurfaceArea | 134.84 |
| Druglikeness | -1.0671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide | 2 - (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-(4-methoxy-2-nitrophenyl)butanamide