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MCULE-8831191731-0
Structure
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- InChIKey:
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- InChI:
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1
MCULE-9611094746-0
- Component type: Unknown
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1
MCULE-8275287538-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8831191731-0.sdf |
| SMILES | MCULE-8831191731-0.smiles |
| Standard InChI | MCULE-8831191731-0.inchi |
| InChIKey | MCULE-8831191731-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-23310470 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 782.936 |
| logP | 7.5848 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 216.96 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 224.1648 |
| Atoms | 94 |
| Rings | 7 |
| Heavy atoms | 56 |
| Hydrogen atoms | 38 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
