3,4,5-trihydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Formula:C14H11N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4,5-trihydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,4,5-trihydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N3O6 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c(cc2O)cc(O)c2O)=O)ccc1)=O |
| InChI | InChI=1S/C14H11N3O6/c18-11-5-9(6-12(19)13(11)20)14(21)16-15-7-8-2-1-3-10(4-8)17(22)23/h1-7,18-20H,(H,16,21) |
| InChIK | CFYKGFAZQZJJQW-UHFFFAOYSA-N |
| TotalMolweight | 317.256 |
| Molweight | 317.256 |
| MonoisotopicMass | 317.064787 |
| CLogP | 1.2429 |
| CLogS | -3.293 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 229.71 |
| Relative PSA | 0.46028 |
| PolarSurfaceArea | 147.97 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4,5-trihydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide | 2 - 3,4,5-trihydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
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