N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
Formula:C14H7N5O5Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C14H7N5O5Cl2 |
| Smiles | [O-][N+](c1ccc(-c2noc(C(N/N=C\c(c(Cl)ccc3)c3Cl)=O)n2)o1)=O |
| InChI | InChI=1S/C14H7Cl2N5O5/c15-8-2-1-3-9(16)7(8)6-17-19-13(22)14-18-12(20-26-14)10-4-5-11(25-10)21(23)24/h1-6H,(H,19,22) |
| InChIK | BXYZDLGISGPHFM-UHFFFAOYSA-N |
| TotalMolweight | 396.146 |
| Molweight | 396.146 |
| MonoisotopicMass | 394.982424 |
| CLogP | 2.8882 |
| CLogS | -6.431 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 278.16 |
| Relative PSA | 0.41915 |
| PolarSurfaceArea | 139.34 |
| Druglikeness | 2.6948 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
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