N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-phenylacetamide
Formula:C21H16N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C21H16N4O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=N\NC(Cc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H16N4O6/c26-21(12-15-5-2-1-3-6-15)23-22-14-16-7-4-8-18(11-16)31-20-10-9-17(24(27)28)13-19(20)25(29)30/h1-11,13-14H,12H2,(H,23,26) |
| InChIK | NYAFFGLNGVMJIG-UHFFFAOYSA-N |
| TotalMolweight | 420.38 |
| Molweight | 420.38 |
| MonoisotopicMass | 420.106986 |
| CLogP | 2.7521 |
| CLogS | -6.903 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 317.85 |
| Relative PSA | 0.33616 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -0.86812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-phenylacetamide
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