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MCULE-5014333489-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-6140065525-0
- Component type: Unknown
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1
MCULE-2138350364-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5014333489-0.sdf |
| SMILES | MCULE-5014333489-0.smiles |
| Standard InChI | MCULE-5014333489-0.inchi |
| InChIKey | MCULE-5014333489-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892941462 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 594.863 |
| logP | 8.3162 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 60.69 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 181.8136 |
| Atoms | 98 |
| Rings | 8 |
| Heavy atoms | 44 |
| Hydrogen atoms | 54 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
