(Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimine
Formula:C21H12NO2F9
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimine |
| MolecularFormula | C21H12NO2F9 |
| Smiles | FC(c1cccc(CO/N=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1)(F)F |
| InChI | InChI=1S/C21H12F9NO2/c22-19(23,24)14-3-1-2-12(6-14)11-32-31-10-17-4-5-18(33-17)13-7-15(20(25,26)27)9-16(8-13)21(28,29)30/h1-10H,11H2 |
| InChIK | VOPHDOGQXMGBRA-UHFFFAOYSA-N |
| TotalMolweight | 481.313 |
| Molweight | 481.313 |
| MonoisotopicMass | 481.072431 |
| CLogP | 7.3195 |
| CLogS | -7.436 |
| H Acceptors | 3 |
| TotalSurfaceArea | 319.37 |
| Relative PSA | 0.11153 |
| PolarSurfaceArea | 34.73 |
| Druglikeness | -4.7975 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimine | 2 - (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off