2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one
Formula:C22H13N2OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one |
| MolecularFormula | C22H13N2OBrCl2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Br)N1c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H13BrCl2N2O/c23-15-11-8-14(9-12-15)10-13-20-26-19-7-2-1-4-16(19)22(28)27(20)21-17(24)5-3-6-18(21)25/h1-13H |
| InChIK | HFNKAOCLMWVONH-UHFFFAOYSA-N |
| TotalMolweight | 472.168 |
| Molweight | 472.168 |
| MonoisotopicMass | 469.958828 |
| CLogP | 6.2473 |
| CLogS | -7.364 |
| H Acceptors | 3 |
| TotalSurfaceArea | 306.27 |
| Relative PSA | 0.091749 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.018632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one | 2 - 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,6-dichlorophenyl)quinazolin-4-one
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