N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide
Formula:C21H16N4O6Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide |
| MolecularFormula | C21H16N4O6Cl2 |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1-c1ccc(/C=N\NC(CNC(COc(cc2)ccc2Cl)=O)=O)o1)=O |
| InChI | InChI=1S/C21H16Cl2N4O6/c22-13-1-4-15(5-2-13)32-12-21(29)24-11-20(28)26-25-10-16-6-8-19(33-16)17-7-3-14(23)9-18(17)27(30)31/h1-10H,11-12H2,(H,24,29)(H,26,28) |
| InChIK | ZNXKIDWHUQARAZ-UHFFFAOYSA-N |
| TotalMolweight | 491.286 |
| Molweight | 491.286 |
| MonoisotopicMass | 490.04469 |
| CLogP | 3.0895 |
| CLogS | -6.66 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 357.68 |
| Relative PSA | 0.32163 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | 2.3172 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide | 2 - N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide
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