2-[(E)-2-(furan-2-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Formula:C21H13N2O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one |
| MolecularFormula | C21H13N2O2F3 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccco2)N1c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C21H13F3N2O2/c22-21(23,24)14-5-3-6-15(13-14)26-19(11-10-16-7-4-12-28-16)25-18-9-2-1-8-17(18)20(26)27/h1-13H |
| InChIK | VPOVOGQAONHQBL-UHFFFAOYSA-N |
| TotalMolweight | 382.34 |
| Molweight | 382.34 |
| MonoisotopicMass | 382.092912 |
| CLogP | 4.3471 |
| CLogS | -5.518 |
| H Acceptors | 4 |
| TotalSurfaceArea | 275.95 |
| Relative PSA | 0.15296 |
| PolarSurfaceArea | 45.81 |
| Druglikeness | -5.3835 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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