3-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
Formula:C24H14N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one |
| MolecularFormula | C24H14N2OF6 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccc(C(F)(F)F)cc2)N1c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C24H14F6N2O/c25-23(26,27)16-12-9-15(10-13-16)11-14-21-31-19-7-3-1-5-17(19)22(33)32(21)20-8-4-2-6-18(20)24(28,29)30/h1-14H |
| InChIK | DXJGWZHRNBHZSS-UHFFFAOYSA-N |
| TotalMolweight | 460.376 |
| Molweight | 460.376 |
| MonoisotopicMass | 460.101031 |
| CLogP | 6.0067 |
| CLogS | -6.614 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.72 |
| Relative PSA | 0.089003 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -5.4437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 3-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one | 2 - 3-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
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