2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
Formula:C10H8N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide is a drug-like molecule.
| MolName | 2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide |
| MolecularFormula | C10H8N2OF6 |
| Smiles | N/C(/Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/O |
| InChI | InChI=1S/C10H8F6N2O/c11-9(12,13)6-1-5(3-8(17)18-19)2-7(4-6)10(14,15)16/h1-2,4,19H,3H2,(H2,17,18) |
| InChIK | UFYSBKCOGRNGQA-UHFFFAOYSA-N |
| TotalMolweight | 286.175 |
| Molweight | 286.175 |
| MonoisotopicMass | 286.054081 |
| CLogP | 3.063 |
| CLogS | -3.601 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 183.78 |
| Relative PSA | 0.217 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -8.8997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide | 2 - 2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
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