3-(4-bromophenyl)-2-[(E)-2-(3-bromophenyl)ethenyl]quinazolin-4-one
Formula:C22H14N2OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-2-[(E)-2-(3-bromophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(4-bromophenyl)-2-[(E)-2-(3-bromophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H14N2OBr2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccc(Br)c2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C22H14Br2N2O/c23-16-9-11-18(12-10-16)26-21(13-8-15-4-3-5-17(24)14-15)25-20-7-2-1-6-19(20)22(26)27/h1-14H |
| InChIK | QSLIRYLQGCSMHS-UHFFFAOYSA-N |
| TotalMolweight | 482.174 |
| Molweight | 482.174 |
| MonoisotopicMass | 479.947285 |
| CLogP | 5.7605 |
| CLogS | -6.726 |
| H Acceptors | 3 |
| TotalSurfaceArea | 294.06 |
| Relative PSA | 0.095559 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.043669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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