6-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C21H13N4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C21H13N4Cl2F |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc(nc(-c1ccccc1)c1c2)nc1ccc2Cl |
| InChI | InChI=1S/C21H13Cl2FN4/c22-14-9-10-19-15(11-14)20(13-5-2-1-3-6-13)27-21(26-19)28-25-12-16-17(23)7-4-8-18(16)24/h1-12H,(H,26,27,28) |
| InChIK | LQOBTDSEWOHTQJ-UHFFFAOYSA-N |
| TotalMolweight | 411.266 |
| Molweight | 411.266 |
| MonoisotopicMass | 410.050128 |
| CLogP | 8.0271 |
| CLogS | -7.481 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.31 |
| Relative PSA | 0.15055 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 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 | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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