2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
Formula:C22H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C22H15N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(N2c3ccccc3)=Nc(cccc3)c3C2=O)ccc1)=O |
| InChI | InChI=1S/C22H15N3O3/c26-22-19-11-4-5-12-20(19)23-21(24(22)17-8-2-1-3-9-17)14-13-16-7-6-10-18(15-16)25(27)28/h1-15H |
| InChIK | QFFFFAPCQIJGBL-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.111342 |
| CLogP | 3.3885 |
| CLogS | -5.518 |
| H Acceptors | 6 |
| TotalSurfaceArea | 280.47 |
| Relative PSA | 0.20865 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -3.3695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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