4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]butanamide
Formula:C11H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]butanamide |
| MolecularFormula | C11H13N3O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(CCCO)=O)cccc1)=O |
| InChI | InChI=1S/C11H13N3O4/c15-7-3-6-11(16)13-12-8-9-4-1-2-5-10(9)14(17)18/h1-2,4-5,8,15H,3,6-7H2,(H,13,16) |
| InChIK | LWCVSEXCZUTKMC-UHFFFAOYSA-N |
| TotalMolweight | 251.241 |
| Molweight | 251.241 |
| MonoisotopicMass | 251.090607 |
| CLogP | 0.8183 |
| CLogS | -3.044 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 198.53 |
| Relative PSA | 0.40059 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -6.5114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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