6,8-dibromo-7H-purine
Formula:C5H2N4Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
6,8-dibromo-7H-purine is a drug-like molecule.
| MolName | 6,8-dibromo-7H-purine |
| MolecularFormula | C5H2N4Br2 |
| Smiles | Brc1nc(ncnc2Br)c2[nH]1 |
| InChI | InChI=1S/C5H2Br2N4/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H,8,9,10,11) |
| InChIK | JYEXAQIXYBNDOX-UHFFFAOYSA-N |
| TotalMolweight | 277.907 |
| Molweight | 277.907 |
| MonoisotopicMass | 275.864618 |
| CLogP | 1.7688 |
| CLogS | -2.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 130.97 |
| Relative PSA | 0.3581 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | -2.4086 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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