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UNKNOWN STEREO
MCULE-1370299661
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-1370299661.sdf |
| SMILES | MCULE-1370299661.smiles |
| Standard InChI | MCULE-1370299661.inchi |
| InChIKey | MCULE-1370299661.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611362197 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 424.446 |
| logP | -4.9369 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 10 |
| PSA | 261.95 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 85.1698 |
| Atoms | 50 |
| Rings | 1 |
| Heavy atoms | 26 |
| Hydrogen atoms | 24 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 8 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
