2-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one
Formula:C26H17N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one |
| MolecularFormula | C26H17N2OBr |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccc(Br)c2)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C26H17BrN2O/c27-20-10-5-7-18(17-20)15-16-25-28-23-13-4-3-12-22(23)26(30)29(25)24-14-6-9-19-8-1-2-11-21(19)24/h1-17H |
| InChIK | SKFCPYJHTPUHNH-UHFFFAOYSA-N |
| TotalMolweight | 453.338 |
| Molweight | 453.338 |
| MonoisotopicMass | 452.052424 |
| CLogP | 6.2297 |
| CLogS | -7.498 |
| H Acceptors | 3 |
| TotalSurfaceArea | 310.03 |
| Relative PSA | 0.090636 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.043669 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one | 2 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off