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UNKNOWN STEREO
MCULE-6298648741-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-6298648741-1.sdf |
| SMILES | MCULE-6298648741-1.smiles |
| Standard InChI | MCULE-6298648741-1.inchi |
| InChIKey | MCULE-6298648741-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500409182 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-611615604 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 873.013 |
| logP | 5.0838 |
| H-bond acceptors | 18 |
| H-bond donors | 11 |
| Rotatable bonds | 28 |
| PSA | 300.89 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 240.1988 |
| Atoms | 120 |
| Rings | 6 |
| Heavy atoms | 64 |
| Hydrogen atoms | 56 |
| Heteroatoms | 18 |
| N/O atoms | 18 |
| 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 |
