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RELATIVE STEREO
MCULE-8280242086
Compound
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-8280242086.sdf |
| SMILES | MCULE-8280242086.smiles |
| Standard InChI | MCULE-8280242086.inchi |
| InChIKey | MCULE-8280242086.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588251587 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 267.242 |
| logP | -1.3988 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 139.54 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.6738 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
