3-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
Formula:C21H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one |
| MolecularFormula | C21H14N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N(C(c2ccccc2)=Nc2c3cccc2)C3=O)cc1)=O |
| InChI | InChI=1S/C21H14N4O3/c26-21-18-8-4-5-9-19(18)23-20(16-6-2-1-3-7-16)24(21)22-14-15-10-12-17(13-11-15)25(27)28/h1-14H |
| InChIK | AVCBRLPBAJRNON-UHFFFAOYSA-N |
| TotalMolweight | 370.367 |
| Molweight | 370.367 |
| MonoisotopicMass | 370.106591 |
| CLogP | 3.1969 |
| CLogS | -5.26 |
| H Acceptors | 7 |
| TotalSurfaceArea | 278.73 |
| Relative PSA | 0.25125 |
| PolarSurfaceArea | 90.85 |
| Druglikeness | -1.3223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one | 2 - 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
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