N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
Formula:C9H6N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide |
| MolecularFormula | C9H6N2OF6 |
| Smiles | N/C(/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/O |
| InChI | InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17) |
| InChIK | GGAPMNUHESBFNK-UHFFFAOYSA-N |
| TotalMolweight | 272.148 |
| Molweight | 272.148 |
| MonoisotopicMass | 272.038431 |
| CLogP | 3.0649 |
| CLogS | -3.636 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 170.02 |
| Relative PSA | 0.23456 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -8.8548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide | 2 - N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off