7-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]quinolin-4-amine
Formula:C16H10N3ClF2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(2,4-difluorophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H10N3ClF2 |
| Smiles | Fc1cc(F)c(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)cc1 |
| InChI | InChI=1S/C16H10ClF2N3/c17-11-2-4-13-15(5-6-20-16(13)7-11)22-21-9-10-1-3-12(18)8-14(10)19/h1-9H,(H,20,22) |
| InChIK | DPPLLICTETZSOK-UHFFFAOYSA-N |
| TotalMolweight | 317.725 |
| Molweight | 317.725 |
| MonoisotopicMass | 317.05313 |
| CLogP | 5.9645 |
| CLogS | -5.219 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.72 |
| Relative PSA | 0.1471 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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