N',4-diamino-1,2,5-oxadiazole-3-carboximidamide
Formula:C3H6N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N',4-diamino-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.
| MolName | N',4-diamino-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C3H6N6O |
| Smiles | N/C(/c1nonc1N)=N\N |
| InChI | InChI=1S/C3H6N6O/c4-2(7-6)1-3(5)9-10-8-1/h6H2,(H2,4,7)(H2,5,9) |
| InChIK | IUABABMIMWMKIV-UHFFFAOYSA-N |
| TotalMolweight | 142.122 |
| Molweight | 142.122 |
| MonoisotopicMass | 142.060309 |
| CLogP | -1.0398 |
| CLogS | -1.026 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 109 |
| Relative PSA | 0.85661 |
| PolarSurfaceArea | 129.34 |
| Druglikeness | -1.4712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N',4-diamino-1,2,5-oxadiazole-3-carboximidamide | 2 - N',4-diamino-1,2,5-oxadiazole-3-carboximidamide
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