N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanimidamide
Formula:C12H16N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanimidamide |
| MolecularFormula | C12H16N2OS |
| Smiles | N/C(/CSc1cc(CCCC2)c2cc1)=N\O |
| InChI | InChI=1S/C12H16N2OS/c13-12(14-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,15H,1-4,8H2,(H2,13,14) |
| InChIK | KDMPGNUFUYIDEW-UHFFFAOYSA-N |
| TotalMolweight | 236.338 |
| Molweight | 236.338 |
| MonoisotopicMass | 236.098333 |
| CLogP | 2.7379 |
| CLogS | -3.714 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 183.89 |
| Relative PSA | 0.31198 |
| PolarSurfaceArea | 83.91 |
| Druglikeness | -6.1475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon |
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1 - N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanimidamide | 2 - N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanimidamide
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