3-phenyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
Formula:C23H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-phenyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one |
| MolecularFormula | C23H15N2OF3 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccc(C(F)(F)F)cc2)N1c1ccccc1 |
| InChI | InChI=1S/C23H15F3N2O/c24-23(25,26)17-13-10-16(11-14-17)12-15-21-27-20-9-5-4-8-19(20)22(29)28(21)18-6-2-1-3-7-18/h1-15H |
| InChIK | WOZRDNZQNBBGSE-UHFFFAOYSA-N |
| TotalMolweight | 392.379 |
| Molweight | 392.379 |
| MonoisotopicMass | 392.113647 |
| CLogP | 5.1584 |
| CLogS | -5.836 |
| H Acceptors | 3 |
| TotalSurfaceArea | 286.26 |
| Relative PSA | 0.098163 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -5.4437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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