N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
Formula:C10H11N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide |
| MolecularFormula | C10H11N2O3F3S |
| Smiles | N/C(/CS(Cc1cc(C(F)(F)F)ccc1)(=O)=O)=N/O |
| InChI | InChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(4-8)5-19(17,18)6-9(14)15-16/h1-4,16H,5-6H2,(H2,14,15) |
| InChIK | FCRPJEFTZOATKI-UHFFFAOYSA-N |
| TotalMolweight | 296.268 |
| Molweight | 296.268 |
| MonoisotopicMass | 296.044247 |
| CLogP | 0.9335 |
| CLogS | -3.087 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 196.66 |
| Relative PSA | 0.34811 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | -10.85 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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