| MolName | 4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C11H10N5O2F3 |
| Smiles | N/C(/c1nonc1N)=N/OCc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C11H10F3N5O2/c12-11(13,14)7-3-1-2-6(4-7)5-20-18-9(15)8-10(16)19-21-17-8/h1-4H,5H2,(H2,15,18)(H2,16,19) |
| InChIK | TVODKKOVVLUHFE-UHFFFAOYSA-N |
| TotalMolweight | 301.227 |
| Molweight | 301.227 |
| MonoisotopicMass | 301.078659 |
| CLogP | 2.0774 |
| CLogS | -3.053 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 213.46 |
| Relative PSA | 0.41272 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | -6.3329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,5-oxadiazole-3-carboximidamide