3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
Formula:C22H13N2OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H13N2OCl2F |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2F)N1c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H13Cl2FN2O/c23-17-5-3-6-18(24)21(17)27-20(13-10-14-8-11-15(25)12-9-14)26-19-7-2-1-4-16(19)22(27)28/h1-13H |
| InChIK | COFJSWBYRKBKSM-UHFFFAOYSA-N |
| TotalMolweight | 411.262 |
| Molweight | 411.262 |
| MonoisotopicMass | 410.038895 |
| CLogP | 5.6229 |
| CLogS | -6.844 |
| H Acceptors | 3 |
| TotalSurfaceArea | 293.99 |
| Relative PSA | 0.095581 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.46863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one | 2 - 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
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