| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide |
| MolecularFormula | C17H14N4O5Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNC(COc(cc1)ccc1Cl)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C17H14Cl2N4O5/c18-12-2-4-13(5-3-12)28-10-17(25)20-9-16(24)22-21-8-11-1-6-14(19)15(7-11)23(26)27/h1-8H,9-10H2,(H,20,25)(H,22,24) |
| InChIK | AWWWLDMDMIYPKM-UHFFFAOYSA-N |
| TotalMolweight | 425.227 |
| Molweight | 425.227 |
| MonoisotopicMass | 424.034125 |
| CLogP | 2.1506 |
| CLogS | -5.2 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 308.23 |
| Relative PSA | 0.32745 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | 0.17471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide