N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
Formula:C6H7N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide |
| MolecularFormula | C6H7N4OF3 |
| Smiles | N/C(/Cn1nc(C(F)(F)F)cc1)=N/O |
| InChI | InChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(11-4)3-5(10)12-14/h1-2,14H,3H2,(H2,10,12) |
| InChIK | AIGOOXOWJUXXMY-UHFFFAOYSA-N |
| TotalMolweight | 208.143 |
| Molweight | 208.143 |
| MonoisotopicMass | 208.057195 |
| CLogP | -0.1725 |
| CLogS | -1.116 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 142.28 |
| Relative PSA | 0.40568 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | -8.6157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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