4-amino-N'-prop-2-ynoxy-1,2,5-oxadiazole-3-carboximidamide
Formula:C6H7N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N'-prop-2-ynoxy-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.
| MolName | 4-amino-N'-prop-2-ynoxy-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C6H7N5O2 |
| Smiles | C#CCO/N=C(/c1nonc1N)\N |
| InChI | InChI=1S/C6H7N5O2/c1-2-3-12-10-5(7)4-6(8)11-13-9-4/h1H,3H2,(H2,7,10)(H2,8,11) |
| InChIK | NRJROJNGXLZSCY-UHFFFAOYSA-N |
| TotalMolweight | 181.155 |
| Molweight | 181.155 |
| MonoisotopicMass | 181.059975 |
| CLogP | -0.1618 |
| CLogS | -1.576 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 148.05 |
| Relative PSA | 0.59507 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | 0.92201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N'-prop-2-ynoxy-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-prop-2-ynoxy-1,2,5-oxadiazole-3-carboximidamide
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