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MCULE-8856675112
Compound
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1
MCULE-1406786800
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8856675112.sdf |
| SMILES | MCULE-8856675112.smiles |
| Standard InChI | MCULE-8856675112.inchi |
| InChIKey | MCULE-8856675112.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502630847 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502823125 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-896184506 | Specs | Screening Compounds | 90 | Main component | unavailable |
| P-33821011 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 318.556 |
| logP | 2.7193 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 103.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 73.9915 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
