3-(2,6-dichlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
Formula:C22H12N2OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,6-dichlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2,6-dichlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H12N2OCl4 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H12Cl4N2O/c23-14-10-8-13(18(26)12-14)9-11-20-27-19-7-2-1-4-15(19)22(29)28(20)21-16(24)5-3-6-17(21)25/h1-12H |
| InChIK | XUBMHOSLTDYDTD-UHFFFAOYSA-N |
| TotalMolweight | 462.162 |
| Molweight | 462.162 |
| MonoisotopicMass | 459.970371 |
| CLogP | 6.7341 |
| CLogS | -8.002 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.48 |
| Relative PSA | 0.088232 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2,6-dichlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one | 2 - 3-(2,6-dichlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
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