6-(trifluoromethyl)-7H-purine
Formula:C6H3N4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
6-(trifluoromethyl)-7H-purine is a drug-like molecule.
| MolName | 6-(trifluoromethyl)-7H-purine |
| MolecularFormula | C6H3N4F3 |
| Smiles | FC(c1ncnc2c1[nH]cn2)(F)F |
| InChI | InChI=1S/C6H3F3N4/c7-6(8,9)4-3-5(12-1-10-3)13-2-11-4/h1-2H,(H,10,11,12,13) |
| InChIK | RPGVDXOVVBWOIH-UHFFFAOYSA-N |
| TotalMolweight | 188.112 |
| Molweight | 188.112 |
| MonoisotopicMass | 188.03098 |
| CLogP | 0.8812 |
| CLogS | -2.47 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 123.17 |
| Relative PSA | 0.38077 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | -7.1208 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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