2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
Formula:C26H17N2OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one |
| MolecularFormula | C26H17N2OBr |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Br)N1c1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H17BrN2O/c27-21-13-9-18(10-14-21)11-16-25-28-24-8-4-3-7-23(24)26(30)29(25)22-15-12-19-5-1-2-6-20(19)17-22/h1-17H |
| InChIK | QOVKSADEZZYHIZ-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 | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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