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MCULE-4337301128-0
Structure
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MCULE-6131177900-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4337301128-0.sdf |
| SMILES | MCULE-4337301128-0.smiles |
| Standard InChI | MCULE-4337301128-0.inchi |
| InChIKey | MCULE-4337301128-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489243112 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1269.267 |
| logP | -0.1008 |
| H-bond acceptors | 32 |
| H-bond donors | 15 |
| Rotatable bonds | 19 |
| PSA | 521.35 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 325.0761 |
| Atoms | 159 |
| Rings | 7 |
| Heavy atoms | 89 |
| Hydrogen atoms | 70 |
| Heteroatoms | 33 |
| N/O atoms | 32 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 15 |
| R/S chiral centers | 15 |
| 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 |
