N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide
Formula:C8H8N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide |
| MolecularFormula | C8H8N3OF3S |
| Smiles | N/C(/CSc1ncc(C(F)(F)F)cc1)=N/O |
| InChI | InChI=1S/C8H8F3N3OS/c9-8(10,11)5-1-2-7(13-3-5)16-4-6(12)14-15/h1-3,15H,4H2,(H2,12,14) |
| InChIK | UJOODZVKQSYBQC-UHFFFAOYSA-N |
| TotalMolweight | 251.232 |
| Molweight | 251.232 |
| MonoisotopicMass | 251.034016 |
| CLogP | 1.5259 |
| CLogS | -2.368 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 170.57 |
| Relative PSA | 0.40066 |
| PolarSurfaceArea | 96.8 |
| Druglikeness | -8.0244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide | 2 - N'-hydroxy-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide
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