N-cyclohexyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C15H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-cyclohexyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C15H19N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(NC2CCCCC2)=O)ccc1)=O |
| InChI | InChI=1S/C15H19N3O4/c19-15(17-13-6-2-1-3-7-13)11-22-16-10-12-5-4-8-14(9-12)18(20)21/h4-5,8-10,13H,1-3,6-7,11H2,(H,17,19) |
| InChIK | ZOJLPCMKJPNPRE-UHFFFAOYSA-N |
| TotalMolweight | 305.333 |
| Molweight | 305.333 |
| MonoisotopicMass | 305.137557 |
| CLogP | 2.1354 |
| CLogS | -4.12 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 242.46 |
| Relative PSA | 0.31523 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -6.7702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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