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UNKNOWN STEREO
MCULE-8543315159
Compound
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| Name | File |
|---|---|
| SDF | MCULE-8543315159.sdf |
| SMILES | MCULE-8543315159.smiles |
| Standard InChI | MCULE-8543315159.inchi |
| InChIKey | MCULE-8543315159.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675211762 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855295332 | Toronto Research | In stock | 90 | As is | in stock |
| P-855244559 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 508.637 |
| logP | 3.6511 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 11 |
| PSA | 186.09 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 140.497 |
| Atoms | 71 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 36 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
