N-cycloheptyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C16H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cycloheptyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-cycloheptyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C16H21N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(NC2CCCCCC2)=O)ccc1)=O |
| InChI | InChI=1S/C16H21N3O4/c20-16(18-14-7-3-1-2-4-8-14)12-23-17-11-13-6-5-9-15(10-13)19(21)22/h5-6,9-11,14H,1-4,7-8,12H2,(H,18,20) |
| InChIK | NKQSLIHINGREGE-UHFFFAOYSA-N |
| TotalMolweight | 319.36 |
| Molweight | 319.36 |
| MonoisotopicMass | 319.153207 |
| CLogP | 2.4774 |
| CLogS | -4.39 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.22 |
| Relative PSA | 0.2983 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -6.8376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-cycloheptyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide | 2 - N-cycloheptyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
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