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MCULE-4732349458
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8590147325
- Component type: Main
-
2
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4732349458.sdf |
| SMILES | MCULE-4732349458.smiles |
| Standard InChI | MCULE-4732349458.inchi |
| InChIKey | MCULE-4732349458.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33383172 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-33383129 | TimTec | ActiMol 2 Week | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 562.702 |
| logP | 5.3995 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 149.05 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.0161 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 34 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
