N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]acetamide
Formula:C17H16N6O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]acetamide |
| MolecularFormula | C17H16N6O8S |
| Smiles | [O-][N+](c(cc1)ccc1S(NCC(NCC(N/N=C\c1cc([N+]([O-])=O)ccc1)=O)=O)(=O)=O)=O |
| InChI | InChI=1S/C17H16N6O8S/c24-16(11-20-32(30,31)15-6-4-13(5-7-15)22(26)27)18-10-17(25)21-19-9-12-2-1-3-14(8-12)23(28)29/h1-9,20H,10-11H2,(H,18,24)(H,21,25) |
| InChIK | DEKFOLDGIUXHFZ-UHFFFAOYSA-N |
| TotalMolweight | 464.414 |
| Molweight | 464.414 |
| MonoisotopicMass | 464.075034 |
| CLogP | -0.7876 |
| CLogS | -3.723 |
| H Acceptors | 14 |
| H Donors | 3 |
| TotalSurfaceArea | 331.1 |
| Relative PSA | 0.48744 |
| PolarSurfaceArea | 216.75 |
| Druglikeness | -2.3466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]acetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]acetamide
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