| MolName | 2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol |
| MolecularFormula | C8H9N4OCl |
| Smiles | OCCNc1c2[nH]ccc2nc(Cl)n1 |
| InChI | InChI=1S/C8H9ClN4O/c9-8-12-5-1-2-10-6(5)7(13-8)11-3-4-14/h1-2,10,14H,3-4H2,(H,11,12,13) |
| InChIK | RBGAAYQJCJRSFB-UHFFFAOYSA-N |
| TotalMolweight | 212.639 |
| Molweight | 212.639 |
| MonoisotopicMass | 212.046488 |
| CLogP | 0.5844 |
| CLogS | -1.915 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 155.7 |
| Relative PSA | 0.3885 |
| PolarSurfaceArea | 73.83 |
| Druglikeness | 0.098835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol | 2 - 2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol