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MCULE-6789957427
Compound
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- InChIKey:
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- InChI:
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1
MCULE-6169624331
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6789957427.sdf |
| SMILES | MCULE-6789957427.smiles |
| Standard InChI | MCULE-6789957427.inchi |
| InChIKey | MCULE-6789957427.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505538388 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 421.359 |
| logP | 2.7704 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 144.49 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 110.2935 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
