N-[(Z)-(3,4-difluorophenyl)methylideneamino]quinolin-2-amine
Formula:C16H11N3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-difluorophenyl)methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-difluorophenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C16H11N3F2 |
| Smiles | Fc(ccc(/C=N\Nc1nc2ccccc2cc1)c1)c1F |
| InChI | InChI=1S/C16H11F2N3/c17-13-7-5-11(9-14(13)18)10-19-21-16-8-6-12-3-1-2-4-15(12)20-16/h1-10H,(H,20,21) |
| InChIK | UPCUBHUAJLDYHT-UHFFFAOYSA-N |
| TotalMolweight | 283.28 |
| Molweight | 283.28 |
| MonoisotopicMass | 283.092103 |
| CLogP | 5.7099 |
| CLogS | -5.008 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.3 |
| Relative PSA | 0.15764 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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