3-(4-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
Formula:C22H13N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H13N2OCl3 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H13Cl3N2O/c23-15-8-10-17(11-9-15)27-21(12-6-14-5-7-16(24)13-19(14)25)26-20-4-2-1-3-18(20)22(27)28/h1-13H |
| InChIK | AHGVOUCXANYSTB-UHFFFAOYSA-N |
| TotalMolweight | 427.717 |
| Molweight | 427.717 |
| MonoisotopicMass | 426.009344 |
| CLogP | 6.1281 |
| CLogS | -7.266 |
| H Acceptors | 3 |
| TotalSurfaceArea | 303.06 |
| Relative PSA | 0.092721 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-(4-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one | 2 - 3-(4-chlorophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
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