3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]quinazolin-4-one
Formula:C23H17N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-(2-chlorophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C23H17N2OCl |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c(cccc2)c2Cl)=Nc2c1cccc2 |
| InChI | InChI=1S/C23H17ClN2O/c24-20-12-6-4-10-18(20)14-15-22-25-21-13-7-5-11-19(21)23(27)26(22)16-17-8-2-1-3-9-17/h1-15H,16H2 |
| InChIK | DQZRVUIYEHKYDN-UHFFFAOYSA-N |
| TotalMolweight | 372.854 |
| Molweight | 372.854 |
| MonoisotopicMass | 372.10294 |
| CLogP | 4.839 |
| CLogS | -5.272 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.98 |
| Relative PSA | 0.098259 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.1245 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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