2-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylquinazolin-4-one
Formula:C22H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C22H15N2OF |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2F)N1c1ccccc1 |
| InChI | InChI=1S/C22H15FN2O/c23-17-13-10-16(11-14-17)12-15-21-24-20-9-5-4-8-19(20)22(26)25(21)18-6-2-1-3-7-18/h1-15H |
| InChIK | ZPWRWKBWMHCTKZ-UHFFFAOYSA-N |
| TotalMolweight | 342.372 |
| Molweight | 342.372 |
| MonoisotopicMass | 342.116841 |
| CLogP | 4.4109 |
| CLogS | -5.372 |
| H Acceptors | 3 |
| TotalSurfaceArea | 263.15 |
| Relative PSA | 0.10678 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.40633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylquinazolin-4-one | 2 - 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylquinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off