N-[(4-chlorophenyl)methyl]-2-(2-nitropyridin-3-yl)oxyacetamide
Formula:C14H12N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-2-(2-nitropyridin-3-yl)oxyacetamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-2-(2-nitropyridin-3-yl)oxyacetamide |
| MolecularFormula | C14H12N3O4Cl |
| Smiles | [O-][N+](c(nccc1)c1OCC(NCc(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C14H12ClN3O4/c15-11-5-3-10(4-6-11)8-17-13(19)9-22-12-2-1-7-16-14(12)18(20)21/h1-7H,8-9H2,(H,17,19) |
| InChIK | QCEFTZFQBCXRCL-UHFFFAOYSA-N |
| TotalMolweight | 321.719 |
| Molweight | 321.719 |
| MonoisotopicMass | 321.051634 |
| CLogP | 1.1263 |
| CLogS | -3.65 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 237.6 |
| Relative PSA | 0.3194 |
| PolarSurfaceArea | 97.04 |
| Druglikeness | -3.7522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
Click to Load Molecule:
1 - N-[(4-chlorophenyl)methyl]-2-(2-nitropyridin-3-yl)oxyacetamide | 2 - N-[(4-chlorophenyl)methyl]-2-(2-nitropyridin-3-yl)oxyacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off