N'-hydroxy-2-thiomorpholin-4-ylethanimidamide
Formula:C6H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-thiomorpholin-4-ylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-thiomorpholin-4-ylethanimidamide |
| MolecularFormula | C6H13N3OS |
| Smiles | N/C(/CN1CCSCC1)=N/O |
| InChI | InChI=1S/C6H13N3OS/c7-6(8-10)5-9-1-3-11-4-2-9/h10H,1-5H2,(H2,7,8) |
| InChIK | PFBBGROSVHNQRQ-UHFFFAOYSA-N |
| TotalMolweight | 175.255 |
| Molweight | 175.255 |
| MonoisotopicMass | 175.077932 |
| CLogP | -0.4061 |
| CLogS | -0.786 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 134.43 |
| Relative PSA | 0.45317 |
| PolarSurfaceArea | 87.15 |
| Druglikeness | 2.3962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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