6-(dichloromethyl)-7H-purine
Formula:C6H4N4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
6-(dichloromethyl)-7H-purine is a drug-like molecule.
| MolName | 6-(dichloromethyl)-7H-purine |
| MolecularFormula | C6H4N4Cl2 |
| Smiles | ClC(c1ncnc2c1[nH]cn2)Cl |
| InChI | InChI=1S/C6H4Cl2N4/c7-5(8)3-4-6(11-1-9-3)12-2-10-4/h1-2,5H,(H,9,10,11,12) |
| InChIK | SYBSTPFKYMWFKX-UHFFFAOYSA-N |
| TotalMolweight | 203.032 |
| Molweight | 203.032 |
| MonoisotopicMass | 201.9813 |
| CLogP | 1.0057 |
| CLogS | -2.891 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 137.05 |
| Relative PSA | 0.34221 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | 0.096067 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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