2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)-6-iodoquinazolin-4-one
Formula:C22H12N2OBr2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)-6-iodoquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)-6-iodoquinazolin-4-one |
| MolecularFormula | C22H12N2OBr2ClI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c(cc2)ccc2Cl)N1c(cc(cc1)Br)c1Br |
| InChI | InChI=1S/C22H12Br2ClIN2O/c23-14-4-8-18(24)20(11-14)28-21(10-3-13-1-5-15(25)6-2-13)27-19-9-7-16(26)12-17(19)22(28)29/h1-12H |
| InChIK | ADOYLPXLPPPYPG-UHFFFAOYSA-N |
| TotalMolweight | 642.511 |
| Molweight | 642.511 |
| MonoisotopicMass | 639.80496 |
| CLogP | 6.8036 |
| CLogS | -8.478 |
| H Acceptors | 3 |
| TotalSurfaceArea | 335.76 |
| Relative PSA | 0.083691 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.57131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)-6-iodoquinazolin-4-one | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,5-dibromophenyl)-6-iodoquinazolin-4-one
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