2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-chlorophenyl)quinazolin-4-one
Formula:C22H14N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-chlorophenyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-chlorophenyl)quinazolin-4-one |
| MolecularFormula | C22H14N2OBrCl |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccc(Br)c2)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C22H14BrClN2O/c23-16-7-5-6-15(14-16)12-13-21-25-19-10-3-1-8-17(19)22(27)26(21)20-11-4-2-9-18(20)24/h1-14H |
| InChIK | UCIABARSJMMPPG-UHFFFAOYSA-N |
| TotalMolweight | 437.723 |
| Molweight | 437.723 |
| MonoisotopicMass | 435.997801 |
| CLogP | 5.6413 |
| CLogS | -6.628 |
| H Acceptors | 3 |
| TotalSurfaceArea | 290.85 |
| Relative PSA | 0.096613 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.018632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44444 |
| 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 |
| Amides | 1 |
| StereoCon |
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