3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodoquinazolin-4-one
Formula:C23H16N2OClI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodoquinazolin-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodoquinazolin-4-one |
| MolecularFormula | C23H16N2OClI |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c(cccc2)c2Cl)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C23H16ClIN2O/c24-20-9-5-4-8-17(20)10-13-22-26-21-12-11-18(25)14-19(21)23(28)27(22)15-16-6-2-1-3-7-16/h1-14H,15H2 |
| InChIK | BNIXTIRBLIKRPP-UHFFFAOYSA-N |
| TotalMolweight | 498.746 |
| Molweight | 498.746 |
| MonoisotopicMass | 497.999588 |
| CLogP | 5.2761 |
| CLogS | -6.288 |
| H Acceptors | 3 |
| TotalSurfaceArea | 312.26 |
| Relative PSA | 0.089989 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.6139 |
| Mutagenic | none |
| Tumorigenic | high |
| 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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