3-(4-bromophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(4-bromophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H15N2OBr |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccccc2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C22H15BrN2O/c23-17-11-13-18(14-12-17)25-21(15-10-16-6-2-1-3-7-16)24-20-9-5-4-8-19(20)22(25)26/h1-15H |
| InChIK | KIXFAIRUWIUFMG-UHFFFAOYSA-N |
| TotalMolweight | 403.278 |
| Molweight | 403.278 |
| MonoisotopicMass | 402.036774 |
| CLogP | 5.0353 |
| CLogS | -5.892 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.43 |
| Relative PSA | 0.10202 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.043669 |
| 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 - 3-(4-bromophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one | 2 - 3-(4-bromophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off