3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4-one
Formula:C22H11N2OBr2Cl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4-one |
| MolecularFormula | C22H11N2OBr2Cl2I |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c(cc(cc1)Br)c1Br |
| InChI | InChI=1S/C22H11Br2Cl2IN2O/c23-13-3-6-17(24)20(9-13)29-21(8-2-12-1-4-14(25)10-18(12)26)28-19-7-5-15(27)11-16(19)22(29)30/h1-11H |
| InChIK | UVEDBWBWHIPWTG-UHFFFAOYSA-N |
| TotalMolweight | 676.956 |
| Molweight | 676.956 |
| MonoisotopicMass | 673.765987 |
| CLogP | 7.4096 |
| CLogS | -9.214 |
| H Acceptors | 3 |
| TotalSurfaceArea | 351.18 |
| Relative PSA | 0.080016 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.57131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4-one | 2 - 3-(2,5-dibromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4-one
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