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MCULE-3917233444
Compound
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1
MCULE-4474007081
- Component type: Main
-
2
MCULE-2746019379
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3917233444.sdf |
| SMILES | MCULE-3917233444.smiles |
| Standard InChI | MCULE-3917233444.inchi |
| InChIKey | MCULE-3917233444.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33216074 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 427.045 |
| logP | 5.3213 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 55.01 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 97.453 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 13 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 8 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
