N-[(Z)-(4-nitrophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Formula:C22H16N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine |
| MolecularFormula | C22H16N6O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1)=O |
| InChI | InChI=1S/C22H16N6O2/c29-28(30)19-13-11-16(12-14-19)15-23-26-22-24-20(17-7-3-1-4-8-17)21(25-27-22)18-9-5-2-6-10-18/h1-15H,(H,24,26,27) |
| InChIK | ARMBUXXRHBFFDD-UHFFFAOYSA-N |
| TotalMolweight | 396.409 |
| Molweight | 396.409 |
| MonoisotopicMass | 396.133474 |
| CLogP | 5.3971 |
| CLogS | -5.981 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 308.71 |
| Relative PSA | 0.27955 |
| PolarSurfaceArea | 108.88 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
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