3-[3-(trifluoromethyl)phenyl]-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
Formula:C24H14N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-(trifluoromethyl)phenyl]-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-[3-(trifluoromethyl)phenyl]-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one |
| MolecularFormula | C24H14N2OF6 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cc(C(F)(F)F)ccc2)N1c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C24H14F6N2O/c25-23(26,27)16-6-3-5-15(13-16)11-12-21-31-20-10-2-1-9-19(20)22(33)32(21)18-8-4-7-17(14-18)24(28,29)30/h1-14H |
| InChIK | WWYKOZPOYAZODM-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 | none |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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