N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-7-chloroquinolin-4-amine
Formula:C18H12N3O2ClF4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-7-chloroquinolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-7-chloroquinolin-4-amine |
| MolecularFormula | C18H12N3O2ClF4 |
| Smiles | FC(Oc1cc(OC(F)F)c(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)cc1)F |
| InChI | InChI=1S/C18H12ClF4N3O2/c19-11-2-4-13-14(5-6-24-15(13)7-11)26-25-9-10-1-3-12(27-17(20)21)8-16(10)28-18(22)23/h1-9,17-18H,(H,24,26) |
| InChIK | ZSSCCGIPDGNCTO-UHFFFAOYSA-N |
| TotalMolweight | 413.757 |
| Molweight | 413.757 |
| MonoisotopicMass | 413.055416 |
| CLogP | 6.1017 |
| CLogS | -5.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.42 |
| Relative PSA | 0.18702 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | -0.68046 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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