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UNKNOWN STEREO
MCULE-8464508386
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-2938952452
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8464508386.sdf |
| SMILES | MCULE-8464508386.smiles |
| Standard InChI | MCULE-8464508386.inchi |
| InChIKey | MCULE-8464508386.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505492653 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502372141 | TimTec | Building Block Collection | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 255.226 |
| logP | -1.111 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 102.96 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.1845 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| 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 |
