N-[(E)-(4-bromophenyl)methylideneamino]quinolin-8-amine
Formula:C16H12N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-bromophenyl)methylideneamino]quinolin-8-amine is not a drug-like molecule.
| MolName | N-[(E)-(4-bromophenyl)methylideneamino]quinolin-8-amine |
| MolecularFormula | C16H12N3Br |
| Smiles | Brc1ccc(/C=N/Nc2cccc3cccnc23)cc1 |
| InChI | InChI=1S/C16H12BrN3/c17-14-8-6-12(7-9-14)11-19-20-15-5-1-3-13-4-2-10-18-16(13)15/h1-11,20H |
| InChIK | AUSDJWPSCWYKLY-UHFFFAOYSA-N |
| TotalMolweight | 326.196 |
| Molweight | 326.196 |
| MonoisotopicMass | 325.021458 |
| CLogP | 5.8821 |
| CLogS | -4.689 |
| 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 | 0.65 |
| 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 |
| StereoCon |
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