2,3,4,5,6-pentahydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]hexanamide
Formula:C11H15N3O9
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2,3,4,5,6-pentahydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]hexanamide is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentahydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]hexanamide |
| MolecularFormula | C11H15N3O9 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(C(C(C(CO)O)O)O)O)=O)o1)=O |
| InChI | InChI=1S/C11H15N3O9/c15-4-6(16)8(17)9(18)10(19)11(20)13-12-3-5-1-2-7(23-5)14(21)22/h1-3,6,8-10,15-19H,4H2,(H,13,20) |
| InChIK | JFNPAPZKYLXIPY-UHFFFAOYSA-N |
| TotalMolweight | 333.252 |
| Molweight | 333.252 |
| MonoisotopicMass | 333.080832 |
| CLogP | -2.82 |
| CLogS | -2.195 |
| H Acceptors | 12 |
| H Donors | 6 |
| TotalSurfaceArea | 236.1 |
| Relative PSA | 0.61855 |
| PolarSurfaceArea | 201.57 |
| Druglikeness | 4.2053 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 11 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - 2,3,4,5,6-pentahydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]hexanamide | 2 - 2,3,4,5,6-pentahydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]hexanamide
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