6-iodo-2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one
Formula:C24H19N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-iodo-2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 6-iodo-2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4-one |
| MolecularFormula | C24H19N2OI |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c2ccccc2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C24H19IN2O/c25-20-12-13-22-21(17-20)24(28)27(16-15-19-9-5-2-6-10-19)23(26-22)14-11-18-7-3-1-4-8-18/h1-14,17H,15-16H2 |
| InChIK | DHBMHLGEKQJMAJ-UHFFFAOYSA-N |
| TotalMolweight | 478.328 |
| Molweight | 478.328 |
| MonoisotopicMass | 478.054211 |
| CLogP | 5.1002 |
| CLogS | -5.664 |
| H Acceptors | 3 |
| TotalSurfaceArea | 310.6 |
| Relative PSA | 0.09047 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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