N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
Formula:C21H17N5O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide |
| MolecularFormula | C21H17N5O7S |
| Smiles | [O-][N+](c1c(/C=N\NC(CN(c2ccccc2)S(c(cccc2)c2[N+]([O-])=O)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C21H17N5O7S/c27-21(23-22-14-16-8-4-5-11-18(16)25(28)29)15-24(17-9-2-1-3-10-17)34(32,33)20-13-7-6-12-19(20)26(30)31/h1-14H,15H2,(H,23,27) |
| InChIK | CJYMVWBPUIWZES-UHFFFAOYSA-N |
| TotalMolweight | 483.46 |
| Molweight | 483.46 |
| MonoisotopicMass | 483.08487 |
| CLogP | 1.2076 |
| CLogS | -5.846 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 346.73 |
| Relative PSA | 0.37199 |
| PolarSurfaceArea | 178.86 |
| Druglikeness | -0.46867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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