2-[(E)-2-(furan-2-yl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
Formula:C20H13N2O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-6-iodo-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-6-iodo-3-phenylquinazolin-4-one |
| MolecularFormula | C20H13N2O2I |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C20H13IN2O2/c21-14-8-10-18-17(13-14)20(24)23(15-5-2-1-3-6-15)19(22-18)11-9-16-7-4-12-25-16/h1-13H |
| InChIK | XWJXORYAZNROGP-UHFFFAOYSA-N |
| TotalMolweight | 440.235 |
| Molweight | 440.235 |
| MonoisotopicMass | 440.002176 |
| CLogP | 3.9359 |
| CLogS | -5.756 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.77 |
| Relative PSA | 0.15475 |
| PolarSurfaceArea | 45.81 |
| Druglikeness | 2.3269 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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