2-(8-chloro-3-methyl-2,6-dioxopurin-7-yl)acetamide
Formula:C8H8N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(8-chloro-3-methyl-2,6-dioxopurin-7-yl)acetamide is a drug-like molecule.
| MolName | 2-(8-chloro-3-methyl-2,6-dioxopurin-7-yl)acetamide |
| MolecularFormula | C8H8N5O3Cl |
| Smiles | CN(c1c(C(N2)=O)n(CC(N)=O)c(Cl)n1)C2=O |
| InChI | InChI=1S/C8H8ClN5O3/c1-13-5-4(6(16)12-8(13)17)14(2-3(10)15)7(9)11-5/h2H2,1H3,(H2,10,15)(H,12,16,17) |
| InChIK | AMKPGUXHHWYYRW-UHFFFAOYSA-N |
| TotalMolweight | 257.637 |
| Molweight | 257.637 |
| MonoisotopicMass | 257.031567 |
| CLogP | -1.0013 |
| CLogS | -1.567 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 172.69 |
| Relative PSA | 0.50518 |
| PolarSurfaceArea | 110.32 |
| Druglikeness | 4.8582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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