2-(4-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H14N4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H14N4ClF |
| Smiles | Fc1c(/C=N\Nc2nc(-c(cc3)ccc3Cl)nc3ccccc23)cccc1 |
| InChI | InChI=1S/C21H14ClFN4/c22-16-11-9-14(10-12-16)20-25-19-8-4-2-6-17(19)21(26-20)27-24-13-15-5-1-3-7-18(15)23/h1-13H,(H,25,26,27) |
| InChIK | BWFJILOSEIKYSX-UHFFFAOYSA-N |
| TotalMolweight | 376.821 |
| Molweight | 376.821 |
| MonoisotopicMass | 376.089101 |
| CLogP | 7.2958 |
| CLogS | -7.366 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.89 |
| Relative PSA | 0.15875 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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