2-(2,4-dinitrophenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H18N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,4-dinitrophenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dinitrophenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N4O6 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(CC(N/N=C\c(cccc2)c2OCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H18N4O6/c27-22(12-17-10-11-19(25(28)29)13-20(17)26(30)31)24-23-14-18-8-4-5-9-21(18)32-15-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,24,27) |
| InChIK | HOASNRQGTDIPOB-UHFFFAOYSA-N |
| TotalMolweight | 434.407 |
| Molweight | 434.407 |
| MonoisotopicMass | 434.122636 |
| CLogP | 2.7046 |
| CLogS | -5.947 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 331.61 |
| Relative PSA | 0.32222 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -1.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-(2,4-dinitrophenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dinitrophenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
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