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MCULE-8349040556-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7322300140-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8349040556-1.sdf |
| SMILES | MCULE-8349040556-1.smiles |
| Standard InChI | MCULE-8349040556-1.inchi |
| InChIKey | MCULE-8349040556-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885548174 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-856038691 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 765.387 |
| logP | -0.741 |
| H-bond acceptors | 23 |
| H-bond donors | 7 |
| Rotatable bonds | 13 |
| PSA | 399.88 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 148.7998 |
| Atoms | 76 |
| Rings | 5 |
| Heavy atoms | 49 |
| Hydrogen atoms | 27 |
| Heteroatoms | 28 |
| N/O atoms | 24 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
