3-phenyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-phenyl-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H16N2O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C22H16N2O/c25-22-19-13-7-8-14-20(19)23-21(16-15-17-9-3-1-4-10-17)24(22)18-11-5-2-6-12-18/h1-16H |
| InChIK | HTXOOHMOIBEJCZ-UHFFFAOYSA-N |
| TotalMolweight | 324.382 |
| Molweight | 324.382 |
| MonoisotopicMass | 324.126263 |
| CLogP | 4.3101 |
| CLogS | -5.058 |
| H Acceptors | 3 |
| TotalSurfaceArea | 256.8 |
| Relative PSA | 0.10942 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.7463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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