3-benzyl-2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodoquinazolin-4-one
Formula:C23H16N2OBrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodoquinazolin-4-one |
| MolecularFormula | C23H16N2OBrI |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c2cc(Br)ccc2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C23H16BrIN2O/c24-18-8-4-7-16(13-18)9-12-22-26-21-11-10-19(25)14-20(21)23(28)27(22)15-17-5-2-1-3-6-17/h1-14H,15H2 |
| InChIK | QBUPORGCRPKBRD-UHFFFAOYSA-N |
| TotalMolweight | 543.197 |
| Molweight | 543.197 |
| MonoisotopicMass | 541.949072 |
| CLogP | 5.3953 |
| CLogS | -6.386 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.47 |
| Relative PSA | 0.089073 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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