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MCULE-4678221774
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8741653959
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4678221774.sdf |
| SMILES | MCULE-4678221774.smiles |
| Standard InChI | MCULE-4678221774.inchi |
| InChIKey | MCULE-4678221774.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611452040 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 534.336 |
| logP | 1.7236 |
| H-bond acceptors | 16 |
| H-bond donors | 5 |
| Rotatable bonds | 12 |
| PSA | 262.11 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 118.3481 |
| Atoms | 62 |
| Rings | 2 |
| Heavy atoms | 33 |
| Hydrogen atoms | 29 |
| Heteroatoms | 19 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
