6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinolin-2-amine
Formula:C22H15N3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(4-bromophenyl)methylideneamino]-4-phenylquinolin-2-amine |
| MolecularFormula | C22H15N3Br2 |
| Smiles | Brc1ccc(/C=N\Nc2cc(-c3ccccc3)c(cc(cc3)Br)c3n2)cc1 |
| InChI | InChI=1S/C22H15Br2N3/c23-17-8-6-15(7-9-17)14-25-27-22-13-19(16-4-2-1-3-5-16)20-12-18(24)10-11-21(20)26-22/h1-14H,(H,26,27) |
| InChIK | VHZXMLCXOHFTOU-UHFFFAOYSA-N |
| TotalMolweight | 481.19 |
| Molweight | 481.19 |
| MonoisotopicMass | 478.963269 |
| CLogP | 8.6179 |
| CLogS | -8.134 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.62 |
| Relative PSA | 0.11328 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.63254 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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