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UNKNOWN STEREO
MCULE-6744213881
Compound
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-6744213881.sdf |
| SMILES | MCULE-6744213881.smiles |
| Standard InChI | MCULE-6744213881.inchi |
| InChIKey | MCULE-6744213881.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611467593 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.252 |
| logP | 5.5218 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 3.24 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 90.891 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 19 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
