3-(2-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
Formula:C22H14N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(2-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H14N2OClF |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cccc2)c2F)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C22H14ClFN2O/c23-17-9-3-6-12-20(17)26-21(14-13-15-7-1-4-10-18(15)24)25-19-11-5-2-8-16(19)22(26)27/h1-14H |
| InChIK | RDPMRZUBANUVKA-UHFFFAOYSA-N |
| TotalMolweight | 376.817 |
| Molweight | 376.817 |
| MonoisotopicMass | 376.077868 |
| CLogP | 5.0169 |
| CLogS | -6.108 |
| H Acceptors | 3 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.10087 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.46863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| StereoCon |
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