N-benzyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C16H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C16H15N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(NCc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C16H15N3O4/c20-16(17-10-13-5-2-1-3-6-13)12-23-18-11-14-7-4-8-15(9-14)19(21)22/h1-9,11H,10,12H2,(H,17,20) |
| InChIK | KQDPTXIIPFQYAX-UHFFFAOYSA-N |
| TotalMolweight | 313.312 |
| Molweight | 313.312 |
| MonoisotopicMass | 313.106257 |
| CLogP | 1.9978 |
| CLogS | -3.869 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.18 |
| Relative PSA | 0.30796 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.5033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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