2-(azepan-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxoacetamide
Formula:C15H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxoacetamide |
| MolecularFormula | C15H18N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(N2CCCCCC2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C15H18N4O4/c20-14(15(21)18-8-3-1-2-4-9-18)17-16-11-12-6-5-7-13(10-12)19(22)23/h5-7,10-11H,1-4,8-9H2,(H,17,20) |
| InChIK | NNWNKVYDBMMJBS-UHFFFAOYSA-N |
| TotalMolweight | 318.332 |
| Molweight | 318.332 |
| MonoisotopicMass | 318.132806 |
| CLogP | 1.2551 |
| CLogS | -3.342 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 248.01 |
| Relative PSA | 0.33474 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | -4.0554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(azepan-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxoacetamide
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