| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H21N7O2ClF |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C18H21ClFN7O2/c19-14-2-1-3-15(20)13(14)12-21-25-16-22-17(26-4-8-28-9-5-26)24-18(23-16)27-6-10-29-11-7-27/h1-3,12H,4-11H2,(H,22,23,24,25) |
| InChIK | HFSCULGRAOKAPA-UHFFFAOYSA-N |
| TotalMolweight | 421.863 |
| Molweight | 421.863 |
| MonoisotopicMass | 421.142928 |
| CLogP | 4.3073 |
| CLogS | -4.591 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 310.97 |
| Relative PSA | 0.26684 |
| PolarSurfaceArea | 88 |
| Druglikeness | 1.9722 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine