2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one
Formula:C26H17N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-naphthalen-1-ylquinazolin-4-one |
| MolecularFormula | C26H17N2OBr |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Br)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C26H17BrN2O/c27-20-15-12-18(13-16-20)14-17-25-28-23-10-4-3-9-22(23)26(30)29(25)24-11-5-7-19-6-1-2-8-21(19)24/h1-17H |
| InChIK | SCJLYWBHTQVTBP-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 | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| 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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