2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
Formula:C9H7N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is a drug-like molecule.
| MolName | 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide |
| MolecularFormula | C9H7N2O3Cl |
| Smiles | NC(CN(c(cc(cc1)Cl)c1O1)C1=O)=O |
| InChI | InChI=1S/C9H7ClN2O3/c10-5-1-2-7-6(3-5)12(4-8(11)13)9(14)15-7/h1-3H,4H2,(H2,11,13) |
| InChIK | XAPXBLMSASSYCW-UHFFFAOYSA-N |
| TotalMolweight | 226.619 |
| Molweight | 226.619 |
| MonoisotopicMass | 226.01452 |
| CLogP | 0.7981 |
| CLogS | -3.079 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 153.26 |
| Relative PSA | 0.35821 |
| PolarSurfaceArea | 72.63 |
| Druglikeness | -1.266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide | 2 - 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off