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MCULE-1652228837
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2217597759
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1652228837.sdf |
| SMILES | MCULE-1652228837.smiles |
| Standard InChI | MCULE-1652228837.inchi |
| InChIKey | MCULE-1652228837.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-22516315 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 600 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 448.340 |
| logP | 0.4925 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 119.8187 |
| Atoms | 50 |
| Rings | 5 |
| Heavy atoms | 25 |
| Hydrogen atoms | 25 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
