4-amino-N'-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
Formula:C10H9N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N'-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.
| MolName | 4-amino-N'-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C10H9N7O3 |
| Smiles | N/C(/c1nonc1N)=N/N=C\c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C10H9N7O3/c11-9(8-10(12)16-20-15-8)14-13-5-6-1-3-7(4-2-6)17(18)19/h1-5H,(H2,11,14)(H2,12,16) |
| InChIK | FHMGFNBZNMKHGW-UHFFFAOYSA-N |
| TotalMolweight | 275.227 |
| Molweight | 275.227 |
| MonoisotopicMass | 275.076688 |
| CLogP | 1.2574 |
| CLogS | -3.225 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 208.67 |
| Relative PSA | 0.57521 |
| PolarSurfaceArea | 161.5 |
| Druglikeness | -2.6854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-amino-N'-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(Z)-(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
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