6-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C21H14N4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C21H14N4BrF |
| Smiles | Fc1c(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)cccc1 |
| InChI | InChI=1S/C21H14BrFN4/c22-16-10-11-19-17(12-16)20(14-6-2-1-3-7-14)26-21(25-19)27-24-13-15-8-4-5-9-18(15)23/h1-13H,(H,25,26,27) |
| InChIK | NFCPPWSRHZPSNU-UHFFFAOYSA-N |
| TotalMolweight | 421.272 |
| Molweight | 421.272 |
| MonoisotopicMass | 420.038585 |
| CLogP | 7.5403 |
| CLogS | -6.843 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.1 |
| Relative PSA | 0.15697 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| 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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