2-chloro-7H-pyrrolo[2,3-d]pyrimidine
Formula:C6H4N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-7H-pyrrolo[2,3-d]pyrimidine is a drug-like molecule.
| MolName | 2-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| MolecularFormula | C6H4N3Cl |
| Smiles | Clc1nc([nH]cc2)c2cn1 |
| InChI | InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10) |
| InChIK | HJOQGBBHVRYTDX-UHFFFAOYSA-N |
| TotalMolweight | 153.572 |
| Molweight | 153.572 |
| MonoisotopicMass | 153.009374 |
| CLogP | 1.2668 |
| CLogS | -2.487 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 110.37 |
| Relative PSA | 0.32554 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -0.59993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-chloro-7H-pyrrolo[2,3-d]pyrimidine | 2 - 2-chloro-7H-pyrrolo[2,3-d]pyrimidine
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