7-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinolin-4-amine
Formula:C16H10N3Cl2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H10N3Cl2F |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc1ccnc2cc(Cl)ccc12 |
| InChI | InChI=1S/C16H10Cl2FN3/c17-10-4-5-11-15(6-7-20-16(11)8-10)22-21-9-12-13(18)2-1-3-14(12)19/h1-9H,(H,20,22) |
| InChIK | YTVFCINUFPWJLS-UHFFFAOYSA-N |
| TotalMolweight | 334.18 |
| Molweight | 334.18 |
| MonoisotopicMass | 333.023579 |
| CLogP | 6.4697 |
| CLogS | -5.641 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.79 |
| Relative PSA | 0.14154 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| 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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