N'-hydroxy-2-naphthalen-1-ylsulfanylethanimidamide
Formula:C12H12N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-naphthalen-1-ylsulfanylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-naphthalen-1-ylsulfanylethanimidamide |
| MolecularFormula | C12H12N2OS |
| Smiles | N/C(/CSc1cccc2ccccc12)=N\O |
| InChI | InChI=1S/C12H12N2OS/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14) |
| InChIK | SSNCFEGYZLRAFM-UHFFFAOYSA-N |
| TotalMolweight | 232.306 |
| Molweight | 232.306 |
| MonoisotopicMass | 232.067033 |
| CLogP | 2.7755 |
| CLogS | -4.228 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 176.95 |
| Relative PSA | 0.32422 |
| PolarSurfaceArea | 83.91 |
| Druglikeness | -0.83438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| StereoCon |
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