N-benzyl-2-(2-nitropyridin-3-yl)oxyacetamide
Formula:C14H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-(2-nitropyridin-3-yl)oxyacetamide is a drug-like molecule.
| MolName | N-benzyl-2-(2-nitropyridin-3-yl)oxyacetamide |
| MolecularFormula | C14H13N3O4 |
| Smiles | [O-][N+](c1ncccc1OCC(NCc1ccccc1)=O)=O |
| InChI | InChI=1S/C14H13N3O4/c18-13(16-9-11-5-2-1-3-6-11)10-21-12-7-4-8-15-14(12)17(19)20/h1-8H,9-10H2,(H,16,18) |
| InChIK | DDPNNJBRKUKGRY-UHFFFAOYSA-N |
| TotalMolweight | 287.274 |
| Molweight | 287.274 |
| MonoisotopicMass | 287.090607 |
| CLogP | 0.5203 |
| CLogS | -2.914 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 222.18 |
| Relative PSA | 0.34157 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -3.8391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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