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MCULE-5202622886
Compound
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1
MCULE-1779938815
- Component type: Unknown
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2
MCULE-5674258733
- Component type: Unknown
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2
MCULE-2333127533
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5202622886.sdf |
| SMILES | MCULE-5202622886.smiles |
| Standard InChI | MCULE-5202622886.inchi |
| InChIKey | MCULE-5202622886.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489120658 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 3568.984 |
| logP | -5.35 |
| H-bond acceptors | 95 |
| H-bond donors | 24 |
| Rotatable bonds | 84 |
| PSA | 1391.73 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 789.1762 |
| Atoms | 425 |
| Rings | 18 |
| Heavy atoms | 251 |
| Hydrogen atoms | 174 |
| Heteroatoms | 95 |
| N/O atoms | 95 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 30 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 30 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
