3-(2-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-one
Formula:C22H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H14N2OCl2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)ccc2Cl)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C22H14Cl2N2O/c23-16-12-9-15(10-13-16)11-14-21-25-19-7-3-1-5-17(19)22(27)26(21)20-8-4-2-6-18(20)24/h1-14H |
| InChIK | HFHDMEXHTISSFY-UHFFFAOYSA-N |
| TotalMolweight | 393.272 |
| Molweight | 393.272 |
| MonoisotopicMass | 392.048317 |
| CLogP | 5.5221 |
| CLogS | -6.53 |
| H Acceptors | 3 |
| TotalSurfaceArea | 287.64 |
| Relative PSA | 0.097692 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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