3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
Formula:C23H16N2OFI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one |
| MolecularFormula | C23H16N2OFI |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c(cc2)ccc2F)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C23H16FIN2O/c24-18-9-6-16(7-10-18)8-13-22-26-21-12-11-19(25)14-20(21)23(28)27(22)15-17-4-2-1-3-5-17/h1-14H,15H2 |
| InChIK | DWWBERUGFYMERY-UHFFFAOYSA-N |
| TotalMolweight | 482.291 |
| Molweight | 482.291 |
| MonoisotopicMass | 482.029139 |
| CLogP | 4.7709 |
| CLogS | -5.866 |
| H Acceptors | 3 |
| TotalSurfaceArea | 303.19 |
| Relative PSA | 0.092681 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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