2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C22H14N7F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C22H14N7F5 |
| Smiles | Fc(c(/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C22H14F5N7/c23-15-14(16(24)18(26)19(27)17(15)25)11-28-34-22-32-20(29-12-7-3-1-4-8-12)31-21(33-22)30-13-9-5-2-6-10-13/h1-11H,(H3,29,30,31,32,33,34) |
| InChIK | PERODCLXLMFLJT-UHFFFAOYSA-N |
| TotalMolweight | 471.392 |
| Molweight | 471.392 |
| MonoisotopicMass | 471.123083 |
| CLogP | 7.8273 |
| CLogS | -8.061 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 339.71 |
| Relative PSA | 0.23196 |
| PolarSurfaceArea | 87.12 |
| Druglikeness | 1.2194 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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