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UNKNOWN STEREO
MCULE-6974075814
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6974075814.sdf |
| SMILES | MCULE-6974075814.smiles |
| Standard InChI | MCULE-6974075814.inchi |
| InChIKey | MCULE-6974075814.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611415538 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 575.697 |
| logP | 2.6349 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 118.21 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 169.8902 |
| Atoms | 83 |
| Rings | 7 |
| Heavy atoms | 42 |
| Hydrogen atoms | 41 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
