3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H15N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C=C/c1ccccc1)=Nc1c2cccc1)C2=O)=O |
| InChI | InChI=1S/C22H15N3O3/c26-22-19-8-4-5-9-20(19)23-21(15-10-16-6-2-1-3-7-16)24(22)17-11-13-18(14-12-17)25(27)28/h1-15H |
| InChIK | HPZAZHJCFWEMOH-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 | 0.5 |
| 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 | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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