N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
Formula:C18H16N6O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide |
| MolecularFormula | C18H16N6O7 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COCC(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C18H16N6O7/c25-17(21-19-9-13-1-5-15(6-2-13)23(27)28)11-31-12-18(26)22-20-10-14-3-7-16(8-4-14)24(29)30/h1-10H,11-12H2,(H,21,25)(H,22,26) |
| InChIK | BYRVERDEYCYJOK-UHFFFAOYSA-N |
| TotalMolweight | 428.36 |
| Molweight | 428.36 |
| MonoisotopicMass | 428.108049 |
| CLogP | 0.6027 |
| CLogS | -4.959 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 325.82 |
| Relative PSA | 0.43846 |
| PolarSurfaceArea | 183.79 |
| Druglikeness | -2.5424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 17 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
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