| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H25N7Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 |
| InChI | InChI=1S/C20H25Cl2N7/c21-16-8-7-9-17(22)15(16)14-23-27-18-24-19(28-10-3-1-4-11-28)26-20(25-18)29-12-5-2-6-13-29/h7-9,14H,1-6,10-13H2,(H,24,25,26,27) |
| InChIK | SCXFDATXLDPCLX-UHFFFAOYSA-N |
| TotalMolweight | 434.374 |
| Molweight | 434.374 |
| MonoisotopicMass | 433.154847 |
| CLogP | 7.1405 |
| CLogS | -6.791 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.56 |
| Relative PSA | 0.19227 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 2.8442 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine