7-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinolin-4-amine
Formula:C16H11N3ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H11N3ClF |
| Smiles | Fc1ccc(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)cc1 |
| InChI | InChI=1S/C16H11ClFN3/c17-12-3-6-14-15(7-8-19-16(14)9-12)21-20-10-11-1-4-13(18)5-2-11/h1-10H,(H,19,21) |
| InChIK | LGXWVNVCPIIGPD-UHFFFAOYSA-N |
| TotalMolweight | 299.735 |
| Molweight | 299.735 |
| MonoisotopicMass | 299.062552 |
| CLogP | 5.8637 |
| CLogS | -4.905 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.37 |
| Relative PSA | 0.15127 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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