2-chloro-6-(trichloromethyl)-7H-purine
Formula:C6H2N4Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-chloro-6-(trichloromethyl)-7H-purine is a drug-like molecule.
| MolName | 2-chloro-6-(trichloromethyl)-7H-purine |
| MolecularFormula | C6H2N4Cl4 |
| Smiles | ClC(c1c2[nH]cnc2nc(Cl)n1)(Cl)Cl |
| InChI | InChI=1S/C6H2Cl4N4/c7-5-13-3(6(8,9)10)2-4(14-5)12-1-11-2/h1H,(H,11,12,13,14) |
| InChIK | PICBJFHHADOHHP-UHFFFAOYSA-N |
| TotalMolweight | 271.922 |
| Molweight | 271.922 |
| MonoisotopicMass | 269.903354 |
| CLogP | 2.5774 |
| CLogS | -4.956 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 165.8 |
| Relative PSA | 0.28287 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | -0.42498 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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