N-[(Z)-(3-fluorophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Formula:C22H16N5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine |
| MolecularFormula | C22H16N5F |
| Smiles | Fc1cc(/C=N\Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1 |
| InChI | InChI=1S/C22H16FN5/c23-19-13-7-8-16(14-19)15-24-27-22-25-20(17-9-3-1-4-10-17)21(26-28-22)18-11-5-2-6-12-18/h1-15H,(H,25,27,28) |
| InChIK | LBEDOGBADOXULA-UHFFFAOYSA-N |
| TotalMolweight | 369.402 |
| Molweight | 369.402 |
| MonoisotopicMass | 369.138973 |
| CLogP | 6.4195 |
| CLogS | -5.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.39 |
| Relative PSA | 0.19177 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(3-fluorophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine | 2 - N-[(Z)-(3-fluorophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
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