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MCULE-2312536387
Compound
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- InChIKey:
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- InChI:
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2
MCULE-3512523362
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2312536387.sdf |
| SMILES | MCULE-2312536387.smiles |
| Standard InChI | MCULE-2312536387.inchi |
| InChIKey | MCULE-2312536387.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855004323 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 796.949 |
| logP | 3.5652 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 11 |
| PSA | 193.74 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 231.8046 |
| Atoms | 114 |
| Rings | 8 |
| Heavy atoms | 58 |
| Hydrogen atoms | 56 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
