N'-nitrothiomorpholine-4-carboximidamide
Formula:C5H10N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-nitrothiomorpholine-4-carboximidamide is a drug-like molecule.
| MolName | N'-nitrothiomorpholine-4-carboximidamide |
| MolecularFormula | C5H10N4O2S |
| Smiles | N/C(/N1CCSCC1)=N/[N+]([O-])=O |
| InChI | InChI=1S/C5H10N4O2S/c6-5(7-9(10)11)8-1-3-12-4-2-8/h1-4H2,(H2,6,7) |
| InChIK | XWSVIWNFLURUEP-UHFFFAOYSA-N |
| TotalMolweight | 190.226 |
| Molweight | 190.226 |
| MonoisotopicMass | 190.052446 |
| CLogP | -0.8221 |
| CLogS | -2.09 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 137.99 |
| Relative PSA | 0.567 |
| PolarSurfaceArea | 112.74 |
| Druglikeness | -0.37678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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