N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
Formula:C13H10N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide |
| MolecularFormula | C13H10N3O4Cl |
| Smiles | [O-][N+](c(nccc1)c1OCC(Nc1cccc(Cl)c1)=O)=O |
| InChI | InChI=1S/C13H10ClN3O4/c14-9-3-1-4-10(7-9)16-12(18)8-21-11-5-2-6-15-13(11)17(19)20/h1-7H,8H2,(H,16,18) |
| InChIK | KWSBALUHXHSXOR-UHFFFAOYSA-N |
| TotalMolweight | 307.692 |
| Molweight | 307.692 |
| MonoisotopicMass | 307.035984 |
| CLogP | 1.4169 |
| CLogS | -3.834 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 223.84 |
| Relative PSA | 0.33904 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -4.3207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide | 2 - N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off