2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Formula:C23H14N2OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one |
| MolecularFormula | C23H14N2OF4 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cccc2)c2F)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H14F4N2O/c24-19-10-3-1-6-15(19)12-13-21-28-20-11-4-2-9-18(20)22(30)29(21)17-8-5-7-16(14-17)23(25,26)27/h1-14H |
| InChIK | PLEOZVZNXKTXNB-UHFFFAOYSA-N |
| TotalMolweight | 410.369 |
| Molweight | 410.369 |
| MonoisotopicMass | 410.104225 |
| CLogP | 5.2592 |
| CLogS | -6.15 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.61 |
| Relative PSA | 0.096032 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -5.4437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one | 2 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off