(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyprop-2-enimidamide
Formula:C11H8N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyprop-2-enimidamide is a drug-like molecule.
| MolName | (E)-3-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyprop-2-enimidamide |
| MolecularFormula | C11H8N2OF6 |
| Smiles | N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/O |
| InChI | InChI=1S/C11H8F6N2O/c12-10(13,14)7-3-6(1-2-9(18)19-20)4-8(5-7)11(15,16)17/h1-5,20H,(H2,18,19) |
| InChIK | DJAABZKOFHHKCN-UHFFFAOYSA-N |
| TotalMolweight | 298.186 |
| Molweight | 298.186 |
| MonoisotopicMass | 298.054081 |
| CLogP | 3.3941 |
| CLogS | -4.006 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 196.52 |
| Relative PSA | 0.20293 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -9.6683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyprop-2-enimidamide | 2 - (E)-3-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyprop-2-enimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off