N-[(Z)-(4-bromophenyl)methylideneamino]quinolin-2-amine
Formula:C16H12N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C16H12N3Br |
| Smiles | Brc1ccc(/C=N\Nc2nc3ccccc3cc2)cc1 |
| InChI | InChI=1S/C16H12BrN3/c17-14-8-5-12(6-9-14)11-18-20-16-10-7-13-3-1-2-4-15(13)19-16/h1-11H,(H,19,20) |
| InChIK | DXWAHLXNODMICP-UHFFFAOYSA-N |
| TotalMolweight | 326.196 |
| Molweight | 326.196 |
| MonoisotopicMass | 325.021458 |
| CLogP | 6.2335 |
| CLogS | -5.214 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.23 |
| Relative PSA | 0.15341 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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