2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide
Formula:C21H16N6O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide |
| MolecularFormula | C21H16N6O8 |
| Smiles | [O-][N+](c1cccc(NC(COc2ccc(/C=N\Nc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)cc2)=O)c1)=O |
| InChI | InChI=1S/C21H16N6O8/c28-21(23-15-2-1-3-16(10-15)25(29)30)13-35-18-7-4-14(5-8-18)12-22-24-19-9-6-17(26(31)32)11-20(19)27(33)34/h1-12,24H,13H2,(H,23,28) |
| InChIK | PIRAVQHMUSOTAJ-UHFFFAOYSA-N |
| TotalMolweight | 480.392 |
| Molweight | 480.392 |
| MonoisotopicMass | 480.102964 |
| CLogP | 2.7985 |
| CLogS | -5.821 |
| H Acceptors | 14 |
| H Donors | 2 |
| TotalSurfaceArea | 352.98 |
| Relative PSA | 0.42136 |
| PolarSurfaceArea | 200.18 |
| Druglikeness | -1.9962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide | 2 - 2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide
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