N-benzhydryl-2-[(Z)-(4-nitrophenyl)methylideneamino]oxyacetamide
Formula:C22H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzhydryl-2-[(Z)-(4-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-benzhydryl-2-[(Z)-(4-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C22H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\OCC(NC(c2ccccc2)c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H19N3O4/c26-21(16-29-23-15-17-11-13-20(14-12-17)25(27)28)24-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,16H2,(H,24,26) |
| InChIK | AQKHOYCVVHFMMK-UHFFFAOYSA-N |
| TotalMolweight | 389.41 |
| Molweight | 389.41 |
| MonoisotopicMass | 389.137557 |
| CLogP | 3.7136 |
| CLogS | -5.129 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.68 |
| Relative PSA | 0.24922 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.2704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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