2-(7H-purin-6-yl)acetamide
Formula:C7H7N5O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(7H-purin-6-yl)acetamide is a drug-like molecule.
| MolName | 2-(7H-purin-6-yl)acetamide |
| MolecularFormula | C7H7N5O |
| Smiles | NC(Cc1ncnc2c1[nH]cn2)=O |
| InChI | InChI=1S/C7H7N5O/c8-5(13)1-4-6-7(11-2-9-4)12-3-10-6/h2-3H,1H2,(H2,8,13)(H,9,10,11,12) |
| InChIK | WZDKYDVFESCEMG-UHFFFAOYSA-N |
| TotalMolweight | 177.167 |
| Molweight | 177.167 |
| MonoisotopicMass | 177.06506 |
| CLogP | -0.8817 |
| CLogS | -1.746 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 133.74 |
| Relative PSA | 0.56236 |
| PolarSurfaceArea | 97.55 |
| Druglikeness | 0.58604 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(7H-purin-6-yl)acetamide | 2 - 2-(7H-purin-6-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off