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MCULE-8270294795
Compound
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- InChI:
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1
MCULE-1795378178
- Component type: Main
-
1
MCULE-6304532422
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8270294795.sdf |
| SMILES | MCULE-8270294795.smiles |
| Standard InChI | MCULE-8270294795.inchi |
| InChIKey | MCULE-8270294795.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610985368 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 318.409 |
| logP | 2.57 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 121.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 84.4117 |
| Atoms | 52 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
